1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)propan-2-yl]propan-1-amine

C18H21Cl2N — CID 43694879

IUPAC1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)propan-2-yl]propan-1-amine
SMILESCCC(NC(C)Cc1cccc(Cl)c1)c1cccc(Cl)c1
InChIInChI=1S/C18H21Cl2N/c1-3-18(15-7-5-9-17(20)12-15)21-13(2)10-14-6-4-8-16(19)11-14/h4-9,11-13,18,21H,3,10H2,1-2H3
InChIKeyCNBJUWAGKMMYGS-UHFFFAOYSA-N
MW322.28 g/mol
LogP5.67
Rot. Bonds6

About 1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)propan-2-yl]propan-1-amine

1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)propan-2-yl]propan-1-amine (PubChem CID 43694879) has the molecular formula C18H21Cl2N and a molecular weight of 322.28 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)propan-2-yl]propan-1-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)propan-2-yl]propan-1-amine
PubChem CID43694879
Molecular FormulaC18H21Cl2N
Molecular Weight322.28 g/mol
Exact Mass321.11
IUPAC Name1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)propan-2-yl]propan-1-amine
SMILESCCC(NC(C)Cc1cccc(Cl)c1)c1cccc(Cl)c1
InChIInChI=1S/C18H21Cl2N/c1-3-18(15-7-5-9-17(20)12-15)21-13(2)10-14-6-4-8-16(19)11-14/h4-9,11-13,18,21H,3,10H2,1-2H3
InChIKeyCNBJUWAGKMMYGS-UHFFFAOYSA-N
XLogP5.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.28
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-bromophenyl)propan-2-yl]-1-(3-chlorophenyl)propan-1-amine
CID 43695932
2-N-[1-(3-chlorophenyl)propyl]propane-1,2-diamine
CID 103387962
N-[1-(3-chlorophenyl)propyl]-4-phenylbutan-2-amine
CID 43110456
1-(3-chlorophenyl)-N-(2-methoxy-1-phenylethyl)propan-2-amine
CID 103463748
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43103044
2-[1-(3-chlorophenyl)propylamino]-3-phenylpropan-1-ol
CID 63260675
N-[1-(3-chlorophenyl)propan-2-yl]pentan-2-amine
CID 43694851
N-[1-(3-chlorophenyl)propan-2-yl]-4-methylpentan-2-amine
CID 43694863
N-[1-(3-chlorophenyl)propyl]-3-methylbutan-2-amine
CID 43131327
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-2-amine
CID 81366808
3-N-[1-(3-chlorophenyl)propyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 54963660
N-[1-(3-chlorophenyl)propyl]-2-methylpentan-3-amine
CID 43779182

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)propan-2-yl]propan-1-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)propan-2-yl]propan-1-amine (CID 43694879) is 1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)propan-2-yl]propan-1-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)propan-2-yl]propan-1-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)propan-2-yl]propan-1-amine is CCC(NC(C)Cc1cccc(Cl)c1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)propan-2-yl]propan-1-amine?
The InChIKey is CNBJUWAGKMMYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N/c1-3-18(15-7-5-9-17(20)12-15)21-13(2)10-14-6-4-8-16(19)11-14/h4-9,11-13,18,21H,3,10H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)propan-2-yl]propan-1-amine?
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)propan-2-yl]propan-1-amine has a molecular weight of 322.28 g/mol, XLogP of 5.67, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)propan-2-yl]propan-1-amine is sourced from PubChem (CID 43694879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).