N-[(2-chlorophenyl)methyl]-3-methyl-2-phenylbutan-1-amine

C18H22ClN — CID 107875777

IUPACN-[(2-chlorophenyl)methyl]-3-methyl-2-phenylbutan-1-amine
SMILESCC(C)C(CNCc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C18H22ClN/c1-14(2)17(15-8-4-3-5-9-15)13-20-12-16-10-6-7-11-18(16)19/h3-11,14,17,20H,12-13H2,1-2H3
InChIKeyRKKJEXGGWZNKDO-UHFFFAOYSA-N
MW287.83 g/mol
LogP4.87
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-3-methyl-2-phenylbutan-1-amine

N-[(2-chlorophenyl)methyl]-3-methyl-2-phenylbutan-1-amine (PubChem CID 107875777) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-methyl-2-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-methyl-2-phenylbutan-1-amine
PubChem CID107875777
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC NameN-[(2-chlorophenyl)methyl]-3-methyl-2-phenylbutan-1-amine
SMILESCC(C)C(CNCc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C18H22ClN/c1-14(2)17(15-8-4-3-5-9-15)13-20-12-16-10-6-7-11-18(16)19/h3-11,14,17,20H,12-13H2,1-2H3
InChIKeyRKKJEXGGWZNKDO-UHFFFAOYSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.83
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(2-chlorophenyl)methyl]-3-methyl-2-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-chlorophenyl)methyl]-N,N-diethyl-1-phenylethane-1,2-diamine
CID 110826595
N-[1-(2-chlorophenyl)ethyl]-3-methyl-2-phenylbutan-1-amine
CID 107875843
2-[(2-chlorophenyl)methylamino]-1-(4-propan-2-ylphenyl)ethanol
CID 60896560
N-[(2-methoxy-3-pyridinyl)methyl]-3-methyl-2-phenylbutan-1-amine
CID 107876007
N-[(2-chlorophenyl)methyl]-1-phenylethanamine
CID 2757411
N-[(2-chlorophenyl)methyl]-2-(4-propan-2-ylphenoxy)propan-1-amine
CID 54803306
3-methyl-2-phenyl-N-(pyridin-2-ylmethyl)butan-1-amine
CID 103614627
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methyl-2-phenylbutan-1-amine
CID 103893916
2,2-dimethyl-N-(3-methyl-2-phenylbutyl)butan-1-amine
CID 107876458
3-[(2-chlorophenyl)methylamino]-N'-hydroxy-2-phenylpropanimidamide
CID 77044130
3-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-phenylbutan-1-amine
CID 107876117
methyl 3-[(2-chlorophenyl)methylamino]-2-methylpropanoate
CID 43398429

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-methyl-2-phenylbutan-1-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-methyl-2-phenylbutan-1-amine (CID 107875777) is N-[(2-chlorophenyl)methyl]-3-methyl-2-phenylbutan-1-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-methyl-2-phenylbutan-1-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-methyl-2-phenylbutan-1-amine is CC(C)C(CNCc1ccccc1Cl)c1ccccc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-methyl-2-phenylbutan-1-amine?
The InChIKey is RKKJEXGGWZNKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN/c1-14(2)17(15-8-4-3-5-9-15)13-20-12-16-10-6-7-11-18(16)19/h3-11,14,17,20H,12-13H2,1-2H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-3-methyl-2-phenylbutan-1-amine?
N-[(2-chlorophenyl)methyl]-3-methyl-2-phenylbutan-1-amine has a molecular weight of 287.83 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-methyl-2-phenylbutan-1-amine is sourced from PubChem (CID 107875777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).