N-[(4-ethylcyclohexyl)-(3-methylphenyl)methyl]ethanamine

C18H29N — CID 64774201

IUPACN-[(4-ethylcyclohexyl)-(3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(C)c1)C1CCC(CC)CC1
InChIInChI=1S/C18H29N/c1-4-15-9-11-16(12-10-15)18(19-5-2)17-8-6-7-14(3)13-17/h6-8,13,15-16,18-19H,4-5,9-12H2,1-3H3
InChIKeyVKGTYLFPSGJEJF-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.86
Rot. Bonds5

About N-[(4-ethylcyclohexyl)-(3-methylphenyl)methyl]ethanamine

N-[(4-ethylcyclohexyl)-(3-methylphenyl)methyl]ethanamine (PubChem CID 64774201) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-[(4-ethylcyclohexyl)-(3-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-ethylcyclohexyl)-(3-methylphenyl)methyl]ethanamine
PubChem CID64774201
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-[(4-ethylcyclohexyl)-(3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(C)c1)C1CCC(CC)CC1
InChIInChI=1S/C18H29N/c1-4-15-9-11-16(12-10-15)18(19-5-2)17-8-6-7-14(3)13-17/h6-8,13,15-16,18-19H,4-5,9-12H2,1-3H3
InChIKeyVKGTYLFPSGJEJF-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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

1-(4-ethylcyclohexyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 64774200
N-[cyclopentyl-(3-methylphenyl)methyl]ethanamine
CID 60818890
N-[cycloheptyl-(3-methylphenyl)methyl]ethanamine
CID 65399254
N-[(4-ethylcyclohexyl)methyl]-1-(3-methylphenyl)ethanamine
CID 55191785
N-[(3-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 65331704
N-[7-bicyclo[4.1.0]heptanyl-(3-methylphenyl)methyl]ethanamine
CID 115789774
N-ethyl-1-(4-ethylcyclohexyl)-2-(3-methylphenyl)ethanamine
CID 64776051
N-[(3,4-dimethylphenyl)-(3-ethylcyclopentyl)methyl]ethanamine
CID 65411811
N-[(3-fluorophenyl)-(4-propylcyclohexyl)methyl]ethanamine
CID 65423582
N-[cyclopropyl-(3-methoxyphenyl)methyl]ethanamine
CID 60820098
(3-ethylcyclopentyl)-(3-methylphenyl)methanamine
CID 65410214
3-ethyl-N-[(1S)-1-(3-methylphenyl)ethyl]cyclopentan-1-amine
CID 81360857

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylcyclohexyl)-(3-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(4-ethylcyclohexyl)-(3-methylphenyl)methyl]ethanamine (CID 64774201) is N-[(4-ethylcyclohexyl)-(3-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-ethylcyclohexyl)-(3-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-ethylcyclohexyl)-(3-methylphenyl)methyl]ethanamine is CCNC(c1cccc(C)c1)C1CCC(CC)CC1.
What is the InChIKey of N-[(4-ethylcyclohexyl)-(3-methylphenyl)methyl]ethanamine?
The InChIKey is VKGTYLFPSGJEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-4-15-9-11-16(12-10-15)18(19-5-2)17-8-6-7-14(3)13-17/h6-8,13,15-16,18-19H,4-5,9-12H2,1-3H3.
What are the key properties of N-[(4-ethylcyclohexyl)-(3-methylphenyl)methyl]ethanamine?
N-[(4-ethylcyclohexyl)-(3-methylphenyl)methyl]ethanamine has a molecular weight of 259.44 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylcyclohexyl)-(3-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 64774201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).