N-[(2-methylcyclohexyl)methyl]-3-phenylpropan-1-amine

C17H27N — CID 63454499

IUPACN-[(2-methylcyclohexyl)methyl]-3-phenylpropan-1-amine
SMILESCC1CCCCC1CNCCCc1ccccc1
InChIInChI=1S/C17H27N/c1-15-8-5-6-12-17(15)14-18-13-7-11-16-9-3-2-4-10-16/h2-4,9-10,15,17-18H,5-8,11-14H2,1H3
InChIKeyUWFYFOFVRZBGKF-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.04
Rot. Bonds6

About N-[(2-methylcyclohexyl)methyl]-3-phenylpropan-1-amine

N-[(2-methylcyclohexyl)methyl]-3-phenylpropan-1-amine (PubChem CID 63454499) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-[(2-methylcyclohexyl)methyl]-3-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-methylcyclohexyl)methyl]-3-phenylpropan-1-amine
PubChem CID63454499
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-[(2-methylcyclohexyl)methyl]-3-phenylpropan-1-amine
SMILESCC1CCCCC1CNCCCc1ccccc1
InChIInChI=1S/C17H27N/c1-15-8-5-6-12-17(15)14-18-13-7-11-16-9-3-2-4-10-16/h2-4,9-10,15,17-18H,5-8,11-14H2,1H3
InChIKeyUWFYFOFVRZBGKF-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methyloxolan-3-yl)methyl]-3-phenylpropan-1-amine
CID 114104999
N-[(2-methylcyclohexyl)methyl]-2-pyridin-3-ylethanamine
CID 63265124
N-[(3-bromophenyl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 63455728
N-[(3,4-dimethylphenyl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 55194085
N-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpropan-1-amine
CID 60856584
(2R)-2-methyl-N-(2-phenylethyl)cyclohexan-1-amine
CID 70947263
N-(3-phenylpropyl)cyclododecanamine
CID 83958228
N'-[(1S,2R)-2-methylcyclohexyl]-N-(3-phenylpropyl)oxamide
CID 125145050
1-(2-methylcyclohexyl)-N-[(4-methylphenyl)methyl]methanamine
CID 63455202
3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)propan-1-amine
CID 63771754
3-methoxy-N-[(2-methylcyclopentyl)methyl]propan-1-amine
CID 107417904
N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylpropan-1-amine
CID 28525953

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylcyclohexyl)methyl]-3-phenylpropan-1-amine?
The IUPAC name of N-[(2-methylcyclohexyl)methyl]-3-phenylpropan-1-amine (CID 63454499) is N-[(2-methylcyclohexyl)methyl]-3-phenylpropan-1-amine.
What is the SMILES notation for N-[(2-methylcyclohexyl)methyl]-3-phenylpropan-1-amine?
The canonical SMILES for N-[(2-methylcyclohexyl)methyl]-3-phenylpropan-1-amine is CC1CCCCC1CNCCCc1ccccc1.
What is the InChIKey of N-[(2-methylcyclohexyl)methyl]-3-phenylpropan-1-amine?
The InChIKey is UWFYFOFVRZBGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-15-8-5-6-12-17(15)14-18-13-7-11-16-9-3-2-4-10-16/h2-4,9-10,15,17-18H,5-8,11-14H2,1H3.
What are the key properties of N-[(2-methylcyclohexyl)methyl]-3-phenylpropan-1-amine?
N-[(2-methylcyclohexyl)methyl]-3-phenylpropan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.04, 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]-3-phenylpropan-1-amine is sourced from PubChem (CID 63454499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).