N-[(1S)-1-(3-methylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine

C18H29N — CID 81364403

IUPACN-[(1S)-1-(3-methylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCc1cccc([C@H](C)NC2CCC(C(C)C)CC2)c1
InChIInChI=1S/C18H29N/c1-13(2)16-8-10-18(11-9-16)19-15(4)17-7-5-6-14(3)12-17/h5-7,12-13,15-16,18-19H,8-11H2,1-4H3/t15-,16?,18?/m0/s1
InChIKeyDCQDLLGRAGBIDG-HJOIGYKYSA-N
MW259.44 g/mol
LogP4.86
Rot. Bonds4

About N-[(1S)-1-(3-methylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine

N-[(1S)-1-(3-methylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine (PubChem CID 81364403) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-[(1S)-1-(3-methylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-(3-methylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine
PubChem CID81364403
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-[(1S)-1-(3-methylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCc1cccc([C@H](C)NC2CCC(C(C)C)CC2)c1
InChIInChI=1S/C18H29N/c1-13(2)16-8-10-18(11-9-16)19-15(4)17-7-5-6-14(3)12-17/h5-7,12-13,15-16,18-19H,8-11H2,1-4H3/t15-,16?,18?/m0/s1
InChIKeyDCQDLLGRAGBIDG-HJOIGYKYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S)-1-(3-methylphenyl)ethyl]-1-oxothian-4-amine
CID 81364522
N-[(1R)-1-(4-methylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 81349637
N-[(1R)-1-(3-fluorophenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine
CID 81369167
3-ethyl-N-[(1S)-1-(3-methylphenyl)ethyl]cyclopentan-1-amine
CID 81360857
3-(3-methylphenyl)-N-[(1R)-1-(3-methylphenyl)ethyl]cyclobutan-1-amine
CID 81369233
tert-butyl 4-[1-(3-methylphenyl)ethylamino]piperidine-1-carboxylate
CID 103781191
1-cyclopropyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidin-3-amine
CID 81364151
1-(3-methylbut-2-enyl)-N-[(1R)-1-(3-methylphenyl)ethyl]piperidin-4-amine
CID 81369214
4-propan-2-yl-N-(1-pyridin-4-ylethyl)cyclohexan-1-amine
CID 62702658
4-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]cyclohexan-1-amine
CID 81405525
2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]cyclopentan-1-amine
CID 81363310
1,5-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidin-3-amine
CID 81467257

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-methylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-[(1S)-1-(3-methylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine (CID 81364403) is N-[(1S)-1-(3-methylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-[(1S)-1-(3-methylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-[(1S)-1-(3-methylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine is Cc1cccc([C@H](C)NC2CCC(C(C)C)CC2)c1.
What is the InChIKey of N-[(1S)-1-(3-methylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is DCQDLLGRAGBIDG-HJOIGYKYSA-N. The full InChI is InChI=1S/C18H29N/c1-13(2)16-8-10-18(11-9-16)19-15(4)17-7-5-6-14(3)12-17/h5-7,12-13,15-16,18-19H,8-11H2,1-4H3/t15-,16?,18?/m0/s1.
What are the key properties of N-[(1S)-1-(3-methylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine?
N-[(1S)-1-(3-methylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-methylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 81364403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).