1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-1-cyclopropylmethanamine

C17H17Cl2N — CID 43221853

IUPAC1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-1-cyclopropylmethanamine
SMILESClc1ccc(CNC(c2ccc(Cl)cc2)C2CC2)cc1
InChIInChI=1S/C17H17Cl2N/c18-15-7-1-12(2-8-15)11-20-17(13-3-4-13)14-5-9-16(19)10-6-14/h1-2,5-10,13,17,20H,3-4,11H2
InChIKeyBTXBODKYZCVQSY-UHFFFAOYSA-N
MW306.24 g/mol
LogP5.23
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-1-cyclopropylmethanamine

1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-1-cyclopropylmethanamine (PubChem CID 43221853) has the molecular formula C17H17Cl2N and a molecular weight of 306.24 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-1-cyclopropylmethanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-1-cyclopropylmethanamine
PubChem CID43221853
Molecular FormulaC17H17Cl2N
Molecular Weight306.24 g/mol
Exact Mass305.07
IUPAC Name1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-1-cyclopropylmethanamine
SMILESClc1ccc(CNC(c2ccc(Cl)cc2)C2CC2)cc1
InChIInChI=1S/C17H17Cl2N/c18-15-7-1-12(2-8-15)11-20-17(13-3-4-13)14-5-9-16(19)10-6-14/h1-2,5-10,13,17,20H,3-4,11H2
InChIKeyBTXBODKYZCVQSY-UHFFFAOYSA-N
XLogP5.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.24
LogP ≤ 55.23
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
N-[(4-chlorophenyl)-cyclopropylmethyl]-2-(4-fluorophenyl)ethanamine
CID 43758292
N-[(4-chlorophenyl)methyl]-1-cyclopropylethanamine
CID 43183248
N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-chlorophenyl)-1-cyclopropylmethanamine
CID 60658432
N-[(3-chlorophenyl)methyl]-1-cyclopropyl-1-(4-methylphenyl)methanamine
CID 60713991
N-[(3-bromothiophen-2-yl)methyl]-1-(4-chlorophenyl)-1-cyclopropylmethanamine
CID 78974964
N-[(4-chlorophenyl)-(4-propan-2-ylcyclohexyl)methyl]propan-1-amine
CID 65424593
1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-1-piperidin-4-ylmethanamine
CID 19771937
N-[(4-chlorophenyl)-cyclopropylmethyl]-2-cyclopentylethanamine
CID 63450392
4-[[[(4-chlorophenyl)-cyclopropylmethyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380269
1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-ethylcyclohexyl)methyl]methanamine
CID 63451555
(1R)-N-benzyl-1-(4-chlorophenyl)-1-[(2R)-thiiran-2-yl]methanamine
CID 132608354

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-1-cyclopropylmethanamine?
The IUPAC name of 1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-1-cyclopropylmethanamine (CID 43221853) is 1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-1-cyclopropylmethanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-1-cyclopropylmethanamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-1-cyclopropylmethanamine is Clc1ccc(CNC(c2ccc(Cl)cc2)C2CC2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-1-cyclopropylmethanamine?
The InChIKey is BTXBODKYZCVQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N/c18-15-7-1-12(2-8-15)11-20-17(13-3-4-13)14-5-9-16(19)10-6-14/h1-2,5-10,13,17,20H,3-4,11H2.
What are the key properties of 1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-1-cyclopropylmethanamine?
1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-1-cyclopropylmethanamine has a molecular weight of 306.24 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-1-cyclopropylmethanamine is sourced from PubChem (CID 43221853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).