4-[(2-phenylethylamino)methyl]cyclohexan-1-amine

C15H24N2 — CID 59231059

IUPAC4-[(2-phenylethylamino)methyl]cyclohexan-1-amine
SMILESNC1CCC(CNCCc2ccccc2)CC1
InChIInChI=1S/C15H24N2/c16-15-8-6-14(7-9-15)12-17-11-10-13-4-2-1-3-5-13/h1-5,14-15,17H,6-12,16H2
InChIKeyRRQROAGYXOLMAX-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.34
Rot. Bonds5

About 4-[(2-phenylethylamino)methyl]cyclohexan-1-amine

4-[(2-phenylethylamino)methyl]cyclohexan-1-amine (PubChem CID 59231059) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 4-[(2-phenylethylamino)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[(2-phenylethylamino)methyl]cyclohexan-1-amine
PubChem CID59231059
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name4-[(2-phenylethylamino)methyl]cyclohexan-1-amine
SMILESNC1CCC(CNCCc2ccccc2)CC1
InChIInChI=1S/C15H24N2/c16-15-8-6-14(7-9-15)12-17-11-10-13-4-2-1-3-5-13/h1-5,14-15,17H,6-12,16H2
InChIKeyRRQROAGYXOLMAX-UHFFFAOYSA-N
XLogP2.34
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-ethylcyclohexyl)methyl]-2-phenylethanamine
CID 55192739
4-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclohexan-1-amine
CID 115213507
N-(cyclopropylmethyl)-2-phenylmethoxyethanamine
CID 62566316
benzyl N-[(4-aminocyclohexyl)methyl]carbamate
CID 59845659
2-cyclopentyl-N-(2-phenylethyl)ethanamine
CID 54856926
2-[2-(cyclopentylmethylamino)ethyl]phenol
CID 115905206
N-(cyclopentylmethyl)-2-(4-fluorophenyl)ethanamine
CID 61342806
4-[3-(cyclopropylmethylamino)propyl]aniline
CID 115341816
2-(2-chlorophenyl)-N-(cyclopropylmethyl)ethanamine
CID 60984047
N-[(4-ethylcyclohexyl)methyl]-2-pyridin-4-ylethanamine
CID 54880947
N-methyl-4-[[2-(4-methylphenyl)ethylamino]methyl]cyclohexan-1-amine
CID 115213715
N-[[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]methyl]-2-phenylethanamine
CID 11315184

Frequently Asked Questions

What is the IUPAC name of 4-[(2-phenylethylamino)methyl]cyclohexan-1-amine?
The IUPAC name of 4-[(2-phenylethylamino)methyl]cyclohexan-1-amine (CID 59231059) is 4-[(2-phenylethylamino)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[(2-phenylethylamino)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-[(2-phenylethylamino)methyl]cyclohexan-1-amine is NC1CCC(CNCCc2ccccc2)CC1.
What is the InChIKey of 4-[(2-phenylethylamino)methyl]cyclohexan-1-amine?
The InChIKey is RRQROAGYXOLMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c16-15-8-6-14(7-9-15)12-17-11-10-13-4-2-1-3-5-13/h1-5,14-15,17H,6-12,16H2.
What are the key properties of 4-[(2-phenylethylamino)methyl]cyclohexan-1-amine?
4-[(2-phenylethylamino)methyl]cyclohexan-1-amine has a molecular weight of 232.37 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-phenylethylamino)methyl]cyclohexan-1-amine is sourced from PubChem (CID 59231059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).