N-[(4-chlorophenyl)-cyclopropylmethyl]-3,3-dimethylbutan-2-amine

C16H24ClN — CID 104827637

IUPACN-[(4-chlorophenyl)-cyclopropylmethyl]-3,3-dimethylbutan-2-amine
SMILESCC(NC(c1ccc(Cl)cc1)C1CC1)C(C)(C)C
InChIInChI=1S/C16H24ClN/c1-11(16(2,3)4)18-15(12-5-6-12)13-7-9-14(17)10-8-13/h7-12,15,18H,5-6H2,1-4H3
InChIKeySHBJIHVDBDGDKL-UHFFFAOYSA-N
MW265.83 g/mol
LogP4.82
Rot. Bonds4

About N-[(4-chlorophenyl)-cyclopropylmethyl]-3,3-dimethylbutan-2-amine

N-[(4-chlorophenyl)-cyclopropylmethyl]-3,3-dimethylbutan-2-amine (PubChem CID 104827637) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-cyclopropylmethyl]-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-cyclopropylmethyl]-3,3-dimethylbutan-2-amine
PubChem CID104827637
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC NameN-[(4-chlorophenyl)-cyclopropylmethyl]-3,3-dimethylbutan-2-amine
SMILESCC(NC(c1ccc(Cl)cc1)C1CC1)C(C)(C)C
InChIInChI=1S/C16H24ClN/c1-11(16(2,3)4)18-15(12-5-6-12)13-7-9-14(17)10-8-13/h7-12,15,18H,5-6H2,1-4H3
InChIKeySHBJIHVDBDGDKL-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(4-chlorophenyl)-cyclopropylmethyl]-3,3-dimethylbutan-2-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-[(4-chlorophenyl)-cyclopropylmethyl]-1-cyclohexylethanamine
CID 63477306
(1R)-N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(4-fluorophenyl)ethanamine
CID 81351699
(1R)-1-(4-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine
CID 81357139
N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 43786611
methyl 2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]propanoate
CID 60666904
N-[(4-chlorophenyl)-cyclopropylmethyl]hexan-2-amine
CID 63477442
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(oxolan-3-yl)ethanamine
CID 115707063
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(5-chlorothiophen-2-yl)ethanamine
CID 43782979
(1R)-1-(2-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine
CID 81378755
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(1H-pyrazol-4-yl)ethanamine
CID 106209490
1-(4-chlorophenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 55185676
(1S)-1-(3-bromophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]ethanamine
CID 81382422

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-cyclopropylmethyl]-3,3-dimethylbutan-2-amine?
The IUPAC name of N-[(4-chlorophenyl)-cyclopropylmethyl]-3,3-dimethylbutan-2-amine (CID 104827637) is N-[(4-chlorophenyl)-cyclopropylmethyl]-3,3-dimethylbutan-2-amine.
What is the SMILES notation for N-[(4-chlorophenyl)-cyclopropylmethyl]-3,3-dimethylbutan-2-amine?
The canonical SMILES for N-[(4-chlorophenyl)-cyclopropylmethyl]-3,3-dimethylbutan-2-amine is CC(NC(c1ccc(Cl)cc1)C1CC1)C(C)(C)C.
What is the InChIKey of N-[(4-chlorophenyl)-cyclopropylmethyl]-3,3-dimethylbutan-2-amine?
The InChIKey is SHBJIHVDBDGDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c1-11(16(2,3)4)18-15(12-5-6-12)13-7-9-14(17)10-8-13/h7-12,15,18H,5-6H2,1-4H3.
What are the key properties of N-[(4-chlorophenyl)-cyclopropylmethyl]-3,3-dimethylbutan-2-amine?
N-[(4-chlorophenyl)-cyclopropylmethyl]-3,3-dimethylbutan-2-amine has a molecular weight of 265.83 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-cyclopropylmethyl]-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 104827637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).