N-[(3-chlorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine

C18H20ClN — CID 116517342

IUPACN-[(3-chlorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1cccc(Cl)c1)C1CC1c1ccccc1
InChIInChI=1S/C18H20ClN/c1-2-20-18(14-9-6-10-15(19)11-14)17-12-16(17)13-7-4-3-5-8-13/h3-11,16-18,20H,2,12H2,1H3
InChIKeySSVYHYZANDKOAA-UHFFFAOYSA-N
MW285.82 g/mol
LogP4.79
Rot. Bonds5

About N-[(3-chlorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine

N-[(3-chlorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine (PubChem CID 116517342) has the molecular formula C18H20ClN and a molecular weight of 285.82 g/mol. Its IUPAC name is N-[(3-chlorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine
PubChem CID116517342
Molecular FormulaC18H20ClN
Molecular Weight285.82 g/mol
Exact Mass285.13
IUPAC NameN-[(3-chlorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1cccc(Cl)c1)C1CC1c1ccccc1
InChIInChI=1S/C18H20ClN/c1-2-20-18(14-9-6-10-15(19)11-14)17-12-16(17)13-7-4-3-5-8-13/h3-11,16-18,20H,2,12H2,1H3
InChIKeySSVYHYZANDKOAA-UHFFFAOYSA-N
XLogP4.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(3-chlorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine 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-[(3-chloro-4-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 116517490
N-[3-bicyclo[3.1.0]hexanyl-(3-chlorophenyl)methyl]ethanamine
CID 115811418
N-[(4-bromo-3-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 105052687
N-[(3-iodophenyl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 105052524
N-[(3-chlorophenyl)-(3,5-dimethylcyclohexyl)methyl]ethanamine
CID 64730507
N-[(5-iodothiophen-3-yl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 105052605
N-[(2-chloro-6-fluorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 105052491
1-(3-ethylphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105018905
N-[7-bicyclo[4.1.0]heptanyl-(3-chlorophenyl)methyl]ethanamine
CID 115811298
1-(3-chloro-5-methylphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105052707
N-[(3-chlorophenyl)-(2,3-dihydro-1H-inden-1-yl)methyl]ethanamine
CID 65405344
[(3-methylphenyl)-(2-phenylcyclopropyl)methyl]hydrazine
CID 105200887

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine?
The IUPAC name of N-[(3-chlorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine (CID 116517342) is N-[(3-chlorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-chlorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine?
The canonical SMILES for N-[(3-chlorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine is CCNC(c1cccc(Cl)c1)C1CC1c1ccccc1.
What is the InChIKey of N-[(3-chlorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine?
The InChIKey is SSVYHYZANDKOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN/c1-2-20-18(14-9-6-10-15(19)11-14)17-12-16(17)13-7-4-3-5-8-13/h3-11,16-18,20H,2,12H2,1H3.
What are the key properties of N-[(3-chlorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine?
N-[(3-chlorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine has a molecular weight of 285.82 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 116517342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).