1-(4-chlorophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]propan-1-amine

C17H19Cl2N — CID 81352929

IUPAC1-(4-chlorophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]propan-1-amine
SMILESCCC(N[C@@H](C)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H19Cl2N/c1-3-17(14-6-10-16(19)11-7-14)20-12(2)13-4-8-15(18)9-5-13/h4-12,17,20H,3H2,1-2H3/t12-,17?/m0/s1
InChIKeyFGXJRNXZDTWSQL-WHUIICBVSA-N
MW308.25 g/mol
LogP5.80
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]propan-1-amine

1-(4-chlorophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]propan-1-amine (PubChem CID 81352929) has the molecular formula C17H19Cl2N and a molecular weight of 308.25 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]propan-1-amine
PubChem CID81352929
Molecular FormulaC17H19Cl2N
Molecular Weight308.25 g/mol
Exact Mass307.09
IUPAC Name1-(4-chlorophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]propan-1-amine
SMILESCCC(N[C@@H](C)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H19Cl2N/c1-3-17(14-6-10-16(19)11-7-14)20-12(2)13-4-8-15(18)9-5-13/h4-12,17,20H,3H2,1-2H3/t12-,17?/m0/s1
InChIKeyFGXJRNXZDTWSQL-WHUIICBVSA-N
XLogP5.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.25
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81353537
N-[(1S)-1-(4-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-1-amine
CID 81354126
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethylphenyl)propan-1-amine
CID 81350091
1-(4-chlorophenyl)-N-[1-(4-chlorophenyl)ethyl]butan-1-amine
CID 43106646
1-(3-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81353113
1-(4-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43097661
N-[(1S)-1-(4-chlorophenyl)ethyl]butan-2-amine
CID 81352734
N-[1-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)propan-1-amine
CID 115994193
2-[1-[1-(4-chlorophenyl)propylamino]ethyl]benzene-1,3-diol
CID 107710624
1-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]butan-1-amine
CID 81351382
N-[1-(4-chlorophenyl)ethyl]-1-(2-methoxyphenyl)propan-1-amine
CID 43693470
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-(2-methoxyphenyl)propan-1-amine
CID 81349240

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]propan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]propan-1-amine (CID 81352929) is 1-(4-chlorophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]propan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]propan-1-amine is CCC(N[C@@H](C)c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]propan-1-amine?
The InChIKey is FGXJRNXZDTWSQL-WHUIICBVSA-N. The full InChI is InChI=1S/C17H19Cl2N/c1-3-17(14-6-10-16(19)11-7-14)20-12(2)13-4-8-15(18)9-5-13/h4-12,17,20H,3H2,1-2H3/t12-,17?/m0/s1.
What are the key properties of 1-(4-chlorophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]propan-1-amine?
1-(4-chlorophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]propan-1-amine has a molecular weight of 308.25 g/mol, XLogP of 5.80, 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-[(1S)-1-(4-chlorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 81352929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).