N-(4-chlorobutyl)-4-phenylbutan-1-amine

C14H22ClN — CID 106844243

IUPACN-(4-chlorobutyl)-4-phenylbutan-1-amine
SMILESClCCCCNCCCCc1ccccc1
InChIInChI=1S/C14H22ClN/c15-11-5-7-13-16-12-6-4-10-14-8-2-1-3-9-14/h1-3,8-9,16H,4-7,10-13H2
InChIKeyMZOMUIXQXASPGY-UHFFFAOYSA-N
MW239.79 g/mol
LogP3.62
Rot. Bonds9

About N-(4-chlorobutyl)-4-phenylbutan-1-amine

N-(4-chlorobutyl)-4-phenylbutan-1-amine (PubChem CID 106844243) has the molecular formula C14H22ClN and a molecular weight of 239.79 g/mol. Its IUPAC name is N-(4-chlorobutyl)-4-phenylbutan-1-amine.

Molecular Properties

Compound NameN-(4-chlorobutyl)-4-phenylbutan-1-amine
PubChem CID106844243
Molecular FormulaC14H22ClN
Molecular Weight239.79 g/mol
Exact Mass239.14
IUPAC NameN-(4-chlorobutyl)-4-phenylbutan-1-amine
SMILESClCCCCNCCCCc1ccccc1
InChIInChI=1S/C14H22ClN/c15-11-5-7-13-16-12-6-4-10-14-8-2-1-3-9-14/h1-3,8-9,16H,4-7,10-13H2
InChIKeyMZOMUIXQXASPGY-UHFFFAOYSA-N
XLogP3.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.79
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(4-chlorobutyl)-4-phenylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloroethyl)-3-phenylpropan-1-amine;hydrochloride
CID 141396605
N-(chloromethyl)-3-phenylpropan-1-amine
CID 141240015
4-chlorobutylbenzene;ethane
CID 142108519
N-benzyl-12-chlorododecan-1-amine
CID 175007443
5-phenyl-N-propylpentan-1-amine
CID 62530615
N'-(4-phenylbutyl)-N-propylethane-1,2-diamine
CID 113405226
N-(4-phenylbutyl)hexan-1-amine
CID 54151992
11-phenyl-N-undecylundecan-1-amine
CID 175593224
5-(4-phenylbutylamino)pentan-1-ol
CID 107317257
N,N'-bis(2-phenylethyl)octane-1,8-diamine;dihydrobromide
CID 3029610
N,N'-bis(2-phenylethyl)heptane-1,7-diamine;dihydrobromide
CID 3028511
3-phenyl-N-(2-phenylethyl)propan-1-amine;hydrochloride
CID 54603294

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorobutyl)-4-phenylbutan-1-amine?
The IUPAC name of N-(4-chlorobutyl)-4-phenylbutan-1-amine (CID 106844243) is N-(4-chlorobutyl)-4-phenylbutan-1-amine.
What is the SMILES notation for N-(4-chlorobutyl)-4-phenylbutan-1-amine?
The canonical SMILES for N-(4-chlorobutyl)-4-phenylbutan-1-amine is ClCCCCNCCCCc1ccccc1.
What is the InChIKey of N-(4-chlorobutyl)-4-phenylbutan-1-amine?
The InChIKey is MZOMUIXQXASPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN/c15-11-5-7-13-16-12-6-4-10-14-8-2-1-3-9-14/h1-3,8-9,16H,4-7,10-13H2.
What are the key properties of N-(4-chlorobutyl)-4-phenylbutan-1-amine?
N-(4-chlorobutyl)-4-phenylbutan-1-amine has a molecular weight of 239.79 g/mol, XLogP of 3.62, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorobutyl)-4-phenylbutan-1-amine is sourced from PubChem (CID 106844243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).