(1S)-N-ethyl-2-methyl-1-(2-methylphenyl)cyclohexan-1-amine

C16H25N — CID 156552487

IUPAC(1S)-N-ethyl-2-methyl-1-(2-methylphenyl)cyclohexan-1-amine
SMILESCCN[C@@]1(c2ccccc2C)CCCCC1C
InChIInChI=1S/C16H25N/c1-4-17-16(12-8-7-10-14(16)3)15-11-6-5-9-13(15)2/h5-6,9,11,14,17H,4,7-8,10,12H2,1-3H3/t14?,16-/m0/s1
InChIKeyCAFBVGIAUDKDDA-WMCAAGNKSA-N
MW231.38 g/mol
LogP4.01
Rot. Bonds3

About (1S)-N-ethyl-2-methyl-1-(2-methylphenyl)cyclohexan-1-amine

(1S)-N-ethyl-2-methyl-1-(2-methylphenyl)cyclohexan-1-amine (PubChem CID 156552487) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is (1S)-N-ethyl-2-methyl-1-(2-methylphenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name(1S)-N-ethyl-2-methyl-1-(2-methylphenyl)cyclohexan-1-amine
PubChem CID156552487
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name(1S)-N-ethyl-2-methyl-1-(2-methylphenyl)cyclohexan-1-amine
SMILESCCN[C@@]1(c2ccccc2C)CCCCC1C
InChIInChI=1S/C16H25N/c1-4-17-16(12-8-7-10-14(16)3)15-11-6-5-9-13(15)2/h5-6,9,11,14,17H,4,7-8,10,12H2,1-3H3/t14?,16-/m0/s1
InChIKeyCAFBVGIAUDKDDA-WMCAAGNKSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-2-methyl-1-(2-methylphenyl)cyclohexan-1-amine
CID 156552436
cis-(1S,2S)-2-methyl-1-(2-methylphenyl)cyclohexan-1-ol
CID 21153344
N-methyl-1-[(1R)-2-methyl-1-(2-methylphenyl)cyclohexyl]methanimine
CID 156552608
(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
N-ethyl-2-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 61330634
N-methyl-1-[1-(2-methylphenyl)cycloheptyl]methanamine
CID 62596949
(2R)-2-amino-2-phenylcyclohexan-1-one;(2R)-2-(dimethylamino)-2-phenylcyclohexan-1-one;(1S)-N,2-dimethyl-1-phenylcyclohexan-1-amine;(2R)-2-(ethylamino)-2-(4-methoxyphenyl)cyclohexan-1-one;(2R)-2-(ethylamino)-2-(2-methylphenyl)cyclohexan-1-one;(2R)-2-(methylamino)-2-phenylcyclohexan-1-one;(2R)-2-phenyl-2-(propylamino)cyclohexan-1-one
CID 167602870
2-tert-butyl-1-(2-methylphenyl)cyclohexan-1-amine
CID 54918914
N-methylmethanamine;1-methyl-2-[1-(2-methylphenyl)cyclohexyl]benzene
CID 70442596
trans-(1R,2S)-1-[2-(ethylamino)phenyl]-2-methylcyclopentan-1-ol
CID 14320166
2-methyl-N-[[2-methyl-1-(2-methylphenyl)cyclobutyl]methyl]propan-2-amine
CID 66432386
2'-ethyl-2-methylspiro[cyclohexane-1,3'-indole]
CID 85176971

Frequently Asked Questions

What is the IUPAC name of (1S)-N-ethyl-2-methyl-1-(2-methylphenyl)cyclohexan-1-amine?
The IUPAC name of (1S)-N-ethyl-2-methyl-1-(2-methylphenyl)cyclohexan-1-amine (CID 156552487) is (1S)-N-ethyl-2-methyl-1-(2-methylphenyl)cyclohexan-1-amine.
What is the SMILES notation for (1S)-N-ethyl-2-methyl-1-(2-methylphenyl)cyclohexan-1-amine?
The canonical SMILES for (1S)-N-ethyl-2-methyl-1-(2-methylphenyl)cyclohexan-1-amine is CCN[C@@]1(c2ccccc2C)CCCCC1C.
What is the InChIKey of (1S)-N-ethyl-2-methyl-1-(2-methylphenyl)cyclohexan-1-amine?
The InChIKey is CAFBVGIAUDKDDA-WMCAAGNKSA-N. The full InChI is InChI=1S/C16H25N/c1-4-17-16(12-8-7-10-14(16)3)15-11-6-5-9-13(15)2/h5-6,9,11,14,17H,4,7-8,10,12H2,1-3H3/t14?,16-/m0/s1.
What are the key properties of (1S)-N-ethyl-2-methyl-1-(2-methylphenyl)cyclohexan-1-amine?
(1S)-N-ethyl-2-methyl-1-(2-methylphenyl)cyclohexan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-ethyl-2-methyl-1-(2-methylphenyl)cyclohexan-1-amine is sourced from PubChem (CID 156552487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).