(1S)-N,2-dimethyl-1-phenylcyclohexan-1-amine;2-(ethylamino)-2-(3-methoxyphenyl)cyclohexan-1-one;(2S)-2-(ethylamino)-2-(2-methylphenyl)cyclohexan-1-one;(2S)-2-(ethylamino)-2-(4-methylphenyl)cyclohexan-1-one;(2S)-2-(methylamino)-2-phenylcyclohexan-1-one;(1S)-2-methyl-1-phenylcyclohexan-1-amine

C85H120N6O5 — CID 167704490

IUPAC(1S)-N,2-dimethyl-1-phenylcyclohexan-1-amine;2-(ethylamino)-2-(3-methoxyphenyl)cyclohexan-1-one;(2S)-2-(ethylamino)-2-(2-methylphenyl)cyclohexan-1-one;(2S)-2-(ethylamino)-2-(4-methylphenyl)cyclohexan-1-one;(2S)-2-(methylamino)-2-phenylcyclohexan-1-one;(1S)-2-methyl-1-phenylcyclohexan-1-amine
SMILESCC1CCCC[C@@]1(N)c1ccccc1.CCNC1(c2cccc(OC)c2)CCCCC1=O.CCN[C@]1(c2ccc(C)cc2)CCCCC1=O.CCN[C@]1(c2ccccc2C)CCCCC1=O.CN[C@@]1(c2ccccc2)CCCCC1C.CN[C@]1(c2ccccc2)CCCCC1=O
InChIInChI=1S/C15H21NO2.2C15H21NO.C14H21N.C13H17NO.C13H19N/c1-3-16-15(10-5-4-9-14(15)17)12-7-6-8-13(11-12)18-2;1-3-16-15(11-7-6-10-14(15)17)13-9-5-4-8-12(13)2;1-3-16-15(11-5-4-6-14(15)17)13-9-7-12(2)8-10-13;1-12-8-6-7-11-14(12,15-2)13-9-4-3-5-10-13;1-14-13(10-6-5-9-12(13)15)11-7-3-2-4-8-11;1-11-7-5-6-10-13(11,14)12-8-3-2-4-9-12/h6-8,11,16H,3-5,9-10H2,1-2H3;4-5,8-9,16H,3,6-7,10-11H2,1-2H3;7-10,16H,3-6,11H2,1-2H3;3-5,9-10,12,15H,6-8,11H2,1-2H3;2-4,7-8,14H,5-6,9-10H2,1H3;2-4,8-9,11H,5-7,10,14H2,1H3/t;2*15-;12?,14-;13-;11?,13-/m.00000/s1
InChIKeyYWWQYTNBVVKFTH-SYHLWYDGSA-N
MW1305.93 g/mol
LogP17.14
Rot. Bonds15

About (1S)-N,2-dimethyl-1-phenylcyclohexan-1-amine;2-(ethylamino)-2-(3-methoxyphenyl)cyclohexan-1-one;(2S)-2-(ethylamino)-2-(2-methylphenyl)cyclohexan-1-one;(2S)-2-(ethylamino)-2-(4-methylphenyl)cyclohexan-1-one;(2S)-2-(methylamino)-2-phenylcyclohexan-1-one;(1S)-2-methyl-1-phenylcyclohexan-1-amine

(1S)-N,2-dimethyl-1-phenylcyclohexan-1-amine;2-(ethylamino)-2-(3-methoxyphenyl)cyclohexan-1-one;(2S)-2-(ethylamino)-2-(2-methylphenyl)cyclohexan-1-one;(2S)-2-(ethylamino)-2-(4-methylphenyl)cyclohexan-1-one;(2S)-2-(methylamino)-2-phenylcyclohexan-1-one;(1S)-2-methyl-1-phenylcyclohexan-1-amine (PubChem CID 167704490) has the molecular formula C85H120N6O5 and a molecular weight of 1305.93 g/mol. Its IUPAC name is (1S)-N,2-dimethyl-1-phenylcyclohexan-1-amine;2-(ethylamino)-2-(3-methoxyphenyl)cyclohexan-1-one;(2S)-2-(ethylamino)-2-(2-methylphenyl)cyclohexan-1-one;(2S)-2-(ethylamino)-2-(4-methylphenyl)cyclohexan-1-one;(2S)-2-(methylamino)-2-phenylcyclohexan-1-one;(1S)-2-methyl-1-phenylcyclohexan-1-amine.

Molecular Properties

Compound Name(1S)-N,2-dimethyl-1-phenylcyclohexan-1-amine;2-(ethylamino)-2-(3-methoxyphenyl)cyclohexan-1-one;(2S)-2-(ethylamino)-2-(2-methylphenyl)cyclohexan-1-one;(2S)-2-(ethylamino)-2-(4-methylphenyl)cyclohexan-1-one;(2S)-2-(methylamino)-2-phenylcyclohexan-1-one;(1S)-2-methyl-1-phenylcyclohexan-1-amine
PubChem CID167704490
Molecular FormulaC85H120N6O5
Molecular Weight1305.93 g/mol
Exact Mass1304.93
IUPAC Name(1S)-N,2-dimethyl-1-phenylcyclohexan-1-amine;2-(ethylamino)-2-(3-methoxyphenyl)cyclohexan-1-one;(2S)-2-(ethylamino)-2-(2-methylphenyl)cyclohexan-1-one;(2S)-2-(ethylamino)-2-(4-methylphenyl)cyclohexan-1-one;(2S)-2-(methylamino)-2-phenylcyclohexan-1-one;(1S)-2-methyl-1-phenylcyclohexan-1-amine
SMILESCC1CCCC[C@@]1(N)c1ccccc1.CCNC1(c2cccc(OC)c2)CCCCC1=O.CCN[C@]1(c2ccc(C)cc2)CCCCC1=O.CCN[C@]1(c2ccccc2C)CCCCC1=O.CN[C@@]1(c2ccccc2)CCCCC1C.CN[C@]1(c2ccccc2)CCCCC1=O
InChIInChI=1S/C15H21NO2.2C15H21NO.C14H21N.C13H17NO.C13H19N/c1-3-16-15(10-5-4-9-14(15)17)12-7-6-8-13(11-12)18-2;1-3-16-15(11-7-6-10-14(15)17)13-9-5-4-8-12(13)2;1-3-16-15(11-5-4-6-14(15)17)13-9-7-12(2)8-10-13;1-12-8-6-7-11-14(12,15-2)13-9-4-3-5-10-13;1-14-13(10-6-5-9-12(13)15)11-7-3-2-4-8-11;1-11-7-5-6-10-13(11,14)12-8-3-2-4-9-12/h6-8,11,16H,3-5,9-10H2,1-2H3;4-5,8-9,16H,3,6-7,10-11H2,1-2H3;7-10,16H,3-6,11H2,1-2H3;3-5,9-10,12,15H,6-8,11H2,1-2H3;2-4,7-8,14H,5-6,9-10H2,1H3;2-4,8-9,11H,5-7,10,14H2,1H3/t;2*15-;12?,14-;13-;11?,13-/m.00000/s1
InChIKeyYWWQYTNBVVKFTH-SYHLWYDGSA-N
XLogP17.14
TPSA163.68 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds15
Heavy Atoms96
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001305.93
LogP ≤ 517.14
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Analyze (1S)-N,2-dimethyl-1-phenylcyclohexan-1-amine;2-(ethylamino)-2-(3-methoxyphenyl)cyclohexan-1-one;(2S)-2-(ethylamino)-2-(2-methylphenyl)cyclohexan-1-one;(2S)-2-(ethylamino)-2-(4-methylphenyl)cyclohexan-1-one;(2S)-2-(methylamino)-2-phenylcyclohexan-1-one;(1S)-2-methyl-1-phenylcyclohexan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S)-N,2-dimethyl-1-phenylcyclohexan-1-amine;2-(ethylamino)-2-(3-methoxyphenyl)cyclohexan-1-one;(2S)-2-(ethylamino)-2-(2-methylphenyl)cyclohexan-1-one;(2S)-2-(ethylamino)-2-(4-methylphenyl)cyclohexan-1-one;(2S)-2-(methylamino)-2-phenylcyclohexan-1-one;(1S)-2-methyl-1-phenylcyclohexan-1-amine?
The IUPAC name of (1S)-N,2-dimethyl-1-phenylcyclohexan-1-amine;2-(ethylamino)-2-(3-methoxyphenyl)cyclohexan-1-one;(2S)-2-(ethylamino)-2-(2-methylphenyl)cyclohexan-1-one;(2S)-2-(ethylamino)-2-(4-methylphenyl)cyclohexan-1-one;(2S)-2-(methylamino)-2-phenylcyclohexan-1-one;(1S)-2-methyl-1-phenylcyclohexan-1-amine (CID 167704490) is (1S)-N,2-dimethyl-1-phenylcyclohexan-1-amine;2-(ethylamino)-2-(3-methoxyphenyl)cyclohexan-1-one;(2S)-2-(ethylamino)-2-(2-methylphenyl)cyclohexan-1-one;(2S)-2-(ethylamino)-2-(4-methylphenyl)cyclohexan-1-one;(2S)-2-(methylamino)-2-phenylcyclohexan-1-one;(1S)-2-methyl-1-phenylcyclohexan-1-amine.
What is the SMILES notation for (1S)-N,2-dimethyl-1-phenylcyclohexan-1-amine;2-(ethylamino)-2-(3-methoxyphenyl)cyclohexan-1-one;(2S)-2-(ethylamino)-2-(2-methylphenyl)cyclohexan-1-one;(2S)-2-(ethylamino)-2-(4-methylphenyl)cyclohexan-1-one;(2S)-2-(methylamino)-2-phenylcyclohexan-1-one;(1S)-2-methyl-1-phenylcyclohexan-1-amine?
The canonical SMILES for (1S)-N,2-dimethyl-1-phenylcyclohexan-1-amine;2-(ethylamino)-2-(3-methoxyphenyl)cyclohexan-1-one;(2S)-2-(ethylamino)-2-(2-methylphenyl)cyclohexan-1-one;(2S)-2-(ethylamino)-2-(4-methylphenyl)cyclohexan-1-one;(2S)-2-(methylamino)-2-phenylcyclohexan-1-one;(1S)-2-methyl-1-phenylcyclohexan-1-amine is CC1CCCC[C@@]1(N)c1ccccc1.CCNC1(c2cccc(OC)c2)CCCCC1=O.CCN[C@]1(c2ccc(C)cc2)CCCCC1=O.CCN[C@]1(c2ccccc2C)CCCCC1=O.CN[C@@]1(c2ccccc2)CCCCC1C.CN[C@]1(c2ccccc2)CCCCC1=O.
What is the InChIKey of (1S)-N,2-dimethyl-1-phenylcyclohexan-1-amine;2-(ethylamino)-2-(3-methoxyphenyl)cyclohexan-1-one;(2S)-2-(ethylamino)-2-(2-methylphenyl)cyclohexan-1-one;(2S)-2-(ethylamino)-2-(4-methylphenyl)cyclohexan-1-one;(2S)-2-(methylamino)-2-phenylcyclohexan-1-one;(1S)-2-methyl-1-phenylcyclohexan-1-amine?
The InChIKey is YWWQYTNBVVKFTH-SYHLWYDGSA-N. The full InChI is InChI=1S/C15H21NO2.2C15H21NO.C14H21N.C13H17NO.C13H19N/c1-3-16-15(10-5-4-9-14(15)17)12-7-6-8-13(11-12)18-2;1-3-16-15(11-7-6-10-14(15)17)13-9-5-4-8-12(13)2;1-3-16-15(11-5-4-6-14(15)17)13-9-7-12(2)8-10-13;1-12-8-6-7-11-14(12,15-2)13-9-4-3-5-10-13;1-14-13(10-6-5-9-12(13)15)11-7-3-2-4-8-11;1-11-7-5-6-10-13(11,14)12-8-3-2-4-9-12/h6-8,11,16H,3-5,9-10H2,1-2H3;4-5,8-9,16H,3,6-7,10-11H2,1-2H3;7-10,16H,3-6,11H2,1-2H3;3-5,9-10,12,15H,6-8,11H2,1-2H3;2-4,7-8,14H,5-6,9-10H2,1H3;2-4,8-9,11H,5-7,10,14H2,1H3/t;2*15-;12?,14-;13-;11?,13-/m.00000/s1.
What are the key properties of (1S)-N,2-dimethyl-1-phenylcyclohexan-1-amine;2-(ethylamino)-2-(3-methoxyphenyl)cyclohexan-1-one;(2S)-2-(ethylamino)-2-(2-methylphenyl)cyclohexan-1-one;(2S)-2-(ethylamino)-2-(4-methylphenyl)cyclohexan-1-one;(2S)-2-(methylamino)-2-phenylcyclohexan-1-one;(1S)-2-methyl-1-phenylcyclohexan-1-amine?
(1S)-N,2-dimethyl-1-phenylcyclohexan-1-amine;2-(ethylamino)-2-(3-methoxyphenyl)cyclohexan-1-one;(2S)-2-(ethylamino)-2-(2-methylphenyl)cyclohexan-1-one;(2S)-2-(ethylamino)-2-(4-methylphenyl)cyclohexan-1-one;(2S)-2-(methylamino)-2-phenylcyclohexan-1-one;(1S)-2-methyl-1-phenylcyclohexan-1-amine has a molecular weight of 1305.93 g/mol, XLogP of 17.14, 15 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N,2-dimethyl-1-phenylcyclohexan-1-amine;2-(ethylamino)-2-(3-methoxyphenyl)cyclohexan-1-one;(2S)-2-(ethylamino)-2-(2-methylphenyl)cyclohexan-1-one;(2S)-2-(ethylamino)-2-(4-methylphenyl)cyclohexan-1-one;(2S)-2-(methylamino)-2-phenylcyclohexan-1-one;(1S)-2-methyl-1-phenylcyclohexan-1-amine is sourced from PubChem (CID 167704490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).