N-[(4-chlorophenyl)methyl]-2-cyclohexylethanamine

C15H22ClN — CID 63448624

IUPACN-[(4-chlorophenyl)methyl]-2-cyclohexylethanamine
SMILESClc1ccc(CNCCC2CCCCC2)cc1
InChIInChI=1S/C15H22ClN/c16-15-8-6-14(7-9-15)12-17-11-10-13-4-2-1-3-5-13/h6-9,13,17H,1-5,10-12H2
InChIKeyFYZGYLDAIGEQBQ-UHFFFAOYSA-N
MW251.80 g/mol
LogP4.40
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-2-cyclohexylethanamine

N-[(4-chlorophenyl)methyl]-2-cyclohexylethanamine (PubChem CID 63448624) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-cyclohexylethanamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-cyclohexylethanamine
PubChem CID63448624
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC NameN-[(4-chlorophenyl)methyl]-2-cyclohexylethanamine
SMILESClc1ccc(CNCCC2CCCCC2)cc1
InChIInChI=1S/C15H22ClN/c16-15-8-6-14(7-9-15)12-17-11-10-13-4-2-1-3-5-13/h6-9,13,17H,1-5,10-12H2
InChIKeyFYZGYLDAIGEQBQ-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 54.40
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

2-cyclopentyl-N-[(3,4-difluorophenyl)methyl]ethanamine
CID 60732970
N-[(3-bromo-4-fluorophenyl)methyl]-2-cyclohexylethanamine
CID 63448345
2-cyclopentyl-N-[(4-methylsulfanylphenyl)methyl]ethanamine
CID 60732889
N-[4-(4-chlorophenyl)phenyl]-3-[4-[(2-cyclohexylethylamino)methyl]phenyl]prop-2-ynamide
CID 68819131
4-[(2-cyclohexylethylamino)methyl]-N,N-diethylaniline
CID 63448419
1-chloro-4-(2-cyclohexylethyl)benzene
CID 142983439
4-[(2-cyclobutylethylamino)methyl]-N,N-dimethylaniline
CID 115690285
N-[(3-chloro-4-methoxyphenyl)methyl]-2-cyclopentylethanamine
CID 65021377
N-[(5-chloro-2-methoxyphenyl)methyl]-2-cyclohexylethanamine
CID 63450398
1-[2-(4-chlorophenyl)ethyl]-3-(2-cyclohexylethyl)urea
CID 108888706
2-cyclopentyl-N-(thiophen-3-ylmethyl)ethanamine
CID 60732816
2-cyclobutyl-N-[(4-ethoxyphenyl)methyl]ethanamine
CID 115690193

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-cyclohexylethanamine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-cyclohexylethanamine (CID 63448624) is N-[(4-chlorophenyl)methyl]-2-cyclohexylethanamine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-cyclohexylethanamine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-cyclohexylethanamine is Clc1ccc(CNCCC2CCCCC2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-cyclohexylethanamine?
The InChIKey is FYZGYLDAIGEQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c16-15-8-6-14(7-9-15)12-17-11-10-13-4-2-1-3-5-13/h6-9,13,17H,1-5,10-12H2.
What are the key properties of N-[(4-chlorophenyl)methyl]-2-cyclohexylethanamine?
N-[(4-chlorophenyl)methyl]-2-cyclohexylethanamine has a molecular weight of 251.80 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-cyclohexylethanamine is sourced from PubChem (CID 63448624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).