N-(cyclohexylmethyl)-1-(4-propan-2-ylphenyl)ethanamine

C18H29N — CID 43215868

IUPACN-(cyclohexylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(C(C)NCC2CCCCC2)cc1
InChIInChI=1S/C18H29N/c1-14(2)17-9-11-18(12-10-17)15(3)19-13-16-7-5-4-6-8-16/h9-12,14-16,19H,4-8,13H2,1-3H3
InChIKeyKZRNAUMRXZFKJT-UHFFFAOYSA-N
MW259.44 g/mol
LogP5.04
Rot. Bonds5

About N-(cyclohexylmethyl)-1-(4-propan-2-ylphenyl)ethanamine

N-(cyclohexylmethyl)-1-(4-propan-2-ylphenyl)ethanamine (PubChem CID 43215868) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
PubChem CID43215868
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-(cyclohexylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(C(C)NCC2CCCCC2)cc1
InChIInChI=1S/C18H29N/c1-14(2)17-9-11-18(12-10-17)15(3)19-13-16-7-5-4-6-8-16/h9-12,14-16,19H,4-8,13H2,1-3H3
InChIKeyKZRNAUMRXZFKJT-UHFFFAOYSA-N
XLogP5.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.44
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(cyclobutylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 43298332
N-(cyclohexylmethyl)-1-(4-iodophenyl)ethanamine
CID 43775619
(1S)-N-(cyclohexylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371290
(1S)-1-(4-chlorophenyl)-N-(cyclobutylmethyl)ethanamine
CID 81352222
(1S)-1-(4-bromophenyl)-N-(cyclopentylmethyl)ethanamine
CID 81355288
(1S)-N-(cyclobutylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371090
N-(piperidin-2-ylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 106633350
N-(cyclohexylmethyl)-1-(3,4-difluorophenyl)ethanamine
CID 43216007
N-(cyclopentylmethyl)-1-[4-(2-methylpropoxy)phenyl]ethanamine
CID 43370779
N-(cyclohex-3-en-1-ylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 43223359
3-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]cyclopentan-1-ol
CID 103271482
5-[1-(cyclohexylmethylamino)ethyl]pyridin-2-amine
CID 155167486

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of N-(cyclohexylmethyl)-1-(4-propan-2-ylphenyl)ethanamine (CID 43215868) is N-(cyclohexylmethyl)-1-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for N-(cyclohexylmethyl)-1-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for N-(cyclohexylmethyl)-1-(4-propan-2-ylphenyl)ethanamine is CC(C)c1ccc(C(C)NCC2CCCCC2)cc1.
What is the InChIKey of N-(cyclohexylmethyl)-1-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is KZRNAUMRXZFKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-14(2)17-9-11-18(12-10-17)15(3)19-13-16-7-5-4-6-8-16/h9-12,14-16,19H,4-8,13H2,1-3H3.
What are the key properties of N-(cyclohexylmethyl)-1-(4-propan-2-ylphenyl)ethanamine?
N-(cyclohexylmethyl)-1-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 259.44 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 43215868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).