N-[(3-chlorophenyl)methyl]-1-cyclopropyl-1-(4-methylphenyl)methanamine

C18H20ClN — CID 60713991

IUPACN-[(3-chlorophenyl)methyl]-1-cyclopropyl-1-(4-methylphenyl)methanamine
SMILESCc1ccc(C(NCc2cccc(Cl)c2)C2CC2)cc1
InChIInChI=1S/C18H20ClN/c1-13-5-7-15(8-6-13)18(16-9-10-16)20-12-14-3-2-4-17(19)11-14/h2-8,11,16,18,20H,9-10,12H2,1H3
InChIKeyWOAYZSZHSYTKDX-UHFFFAOYSA-N
MW285.82 g/mol
LogP4.89
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-1-cyclopropyl-1-(4-methylphenyl)methanamine

N-[(3-chlorophenyl)methyl]-1-cyclopropyl-1-(4-methylphenyl)methanamine (PubChem CID 60713991) has the molecular formula C18H20ClN and a molecular weight of 285.82 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1-cyclopropyl-1-(4-methylphenyl)methanamine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1-cyclopropyl-1-(4-methylphenyl)methanamine
PubChem CID60713991
Molecular FormulaC18H20ClN
Molecular Weight285.82 g/mol
Exact Mass285.13
IUPAC NameN-[(3-chlorophenyl)methyl]-1-cyclopropyl-1-(4-methylphenyl)methanamine
SMILESCc1ccc(C(NCc2cccc(Cl)c2)C2CC2)cc1
InChIInChI=1S/C18H20ClN/c1-13-5-7-15(8-6-13)18(16-9-10-16)20-12-14-3-2-4-17(19)11-14/h2-8,11,16,18,20H,9-10,12H2,1H3
InChIKeyWOAYZSZHSYTKDX-UHFFFAOYSA-N
XLogP4.89
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 ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-1-cyclopropyl-N-[(3-methylphenyl)methyl]methanamine
CID 43221859
1-cyclopropyl-1-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 43768785
N-[(3-chlorophenyl)methyl]-1-cyclopropyl-1-thiophen-2-ylmethanamine
CID 60707258
1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-1-cyclopropylmethanamine
CID 43221853
1-cyclopropyl-1-(4-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 60714029
(1R)-N-[(3-chlorophenyl)methyl]-1-cyclobutylethanamine
CID 97321615
(1S)-N-[(3-chlorophenyl)methyl]-1-cycloheptylethanamine
CID 81388927
(1R)-N-[(3-chlorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363703
(1S)-N-[(3-cyclopropylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81356483
1-cyclopropyl-1-(4-methylphenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 62847899
N-[(3-chlorophenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655120
N-[(4-methylcyclohexyl)-(4-methylphenyl)methyl]ethanamine
CID 55185680

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1-cyclopropyl-1-(4-methylphenyl)methanamine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1-cyclopropyl-1-(4-methylphenyl)methanamine (CID 60713991) is N-[(3-chlorophenyl)methyl]-1-cyclopropyl-1-(4-methylphenyl)methanamine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1-cyclopropyl-1-(4-methylphenyl)methanamine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1-cyclopropyl-1-(4-methylphenyl)methanamine is Cc1ccc(C(NCc2cccc(Cl)c2)C2CC2)cc1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1-cyclopropyl-1-(4-methylphenyl)methanamine?
The InChIKey is WOAYZSZHSYTKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN/c1-13-5-7-15(8-6-13)18(16-9-10-16)20-12-14-3-2-4-17(19)11-14/h2-8,11,16,18,20H,9-10,12H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-1-cyclopropyl-1-(4-methylphenyl)methanamine?
N-[(3-chlorophenyl)methyl]-1-cyclopropyl-1-(4-methylphenyl)methanamine has a molecular weight of 285.82 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-1-cyclopropyl-1-(4-methylphenyl)methanamine is sourced from PubChem (CID 60713991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).