N-[(2-methylcyclohexyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine

C20H33N — CID 63455907

IUPACN-[(2-methylcyclohexyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine
SMILESCC(C)Cc1ccc(C(C)NCC2CCCCC2C)cc1
InChIInChI=1S/C20H33N/c1-15(2)13-18-9-11-19(12-10-18)17(4)21-14-20-8-6-5-7-16(20)3/h9-12,15-17,20-21H,5-8,13-14H2,1-4H3
InChIKeyVVGNZYCMRGJMEX-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.36
Rot. Bonds6

About N-[(2-methylcyclohexyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine

N-[(2-methylcyclohexyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine (PubChem CID 63455907) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is N-[(2-methylcyclohexyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-[(2-methylcyclohexyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine
PubChem CID63455907
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC NameN-[(2-methylcyclohexyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine
SMILESCC(C)Cc1ccc(C(C)NCC2CCCCC2C)cc1
InChIInChI=1S/C20H33N/c1-15(2)13-18-9-11-19(12-10-18)17(4)21-14-20-8-6-5-7-16(20)3/h9-12,15-17,20-21H,5-8,13-14H2,1-4H3
InChIKeyVVGNZYCMRGJMEX-UHFFFAOYSA-N
XLogP5.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-methylcyclopentyl)methyl]-1-phenylethanamine
CID 107417351
1-(3,4-dimethylphenyl)-N-[(2-methylcyclopentyl)methyl]ethanamine
CID 107417364
1-[4-(2-methylpropyl)phenyl]-N-(oxan-4-ylmethyl)ethanamine
CID 62385198
2-[[1-(4-ethylphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 64928037
2,3-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclohexan-1-amine
CID 43101166
3-methyl-N-[(2-methylcyclohexyl)methyl]-1-phenylbutan-1-amine
CID 63453789
4-[(2-methylcyclohexyl)methylamino]-5-phenylpentanoic acid
CID 120511977
N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclopentanecarboxamide
CID 112791720
N-(1,4-dioxan-2-ylmethyl)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 61024592
1-(2,4-difluorophenyl)-N-[(2-methylcyclohexyl)methyl]ethanamine
CID 63453969
N-[(1-methylcyclopentyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 63822061
1-(5-fluoro-2-pyridinyl)-N-[(2-methylcyclohexyl)methyl]ethanamine
CID 83117695

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylcyclohexyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine?
The IUPAC name of N-[(2-methylcyclohexyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine (CID 63455907) is N-[(2-methylcyclohexyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine.
What is the SMILES notation for N-[(2-methylcyclohexyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine?
The canonical SMILES for N-[(2-methylcyclohexyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine is CC(C)Cc1ccc(C(C)NCC2CCCCC2C)cc1.
What is the InChIKey of N-[(2-methylcyclohexyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine?
The InChIKey is VVGNZYCMRGJMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-15(2)13-18-9-11-19(12-10-18)17(4)21-14-20-8-6-5-7-16(20)3/h9-12,15-17,20-21H,5-8,13-14H2,1-4H3.
What are the key properties of N-[(2-methylcyclohexyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine?
N-[(2-methylcyclohexyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine has a molecular weight of 287.49 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylcyclohexyl)methyl]-1-[4-(2-methylpropyl)phenyl]ethanamine is sourced from PubChem (CID 63455907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).