1-(4-chlorophenyl)-N-[(2,3-dichlorophenyl)methyl]propan-1-amine

C16H16Cl3N — CID 43434316

IUPAC1-(4-chlorophenyl)-N-[(2,3-dichlorophenyl)methyl]propan-1-amine
SMILESCCC(NCc1cccc(Cl)c1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C16H16Cl3N/c1-2-15(11-6-8-13(17)9-7-11)20-10-12-4-3-5-14(18)16(12)19/h3-9,15,20H,2,10H2,1H3
InChIKeyBIMKKEGQQGOPCK-UHFFFAOYSA-N
MW328.67 g/mol
LogP5.89
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[(2,3-dichlorophenyl)methyl]propan-1-amine

1-(4-chlorophenyl)-N-[(2,3-dichlorophenyl)methyl]propan-1-amine (PubChem CID 43434316) has the molecular formula C16H16Cl3N and a molecular weight of 328.67 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(2,3-dichlorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(2,3-dichlorophenyl)methyl]propan-1-amine
PubChem CID43434316
Molecular FormulaC16H16Cl3N
Molecular Weight328.67 g/mol
Exact Mass327.03
IUPAC Name1-(4-chlorophenyl)-N-[(2,3-dichlorophenyl)methyl]propan-1-amine
SMILESCCC(NCc1cccc(Cl)c1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C16H16Cl3N/c1-2-15(11-6-8-13(17)9-7-11)20-10-12-4-3-5-14(18)16(12)19/h3-9,15,20H,2,10H2,1H3
InChIKeyBIMKKEGQQGOPCK-UHFFFAOYSA-N
XLogP5.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.67
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[[1-(4-chlorophenyl)propylamino]methyl]benzene-1,2-diol
CID 61318879
1-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-1-amine
CID 43234899
(2R)-2-[(2,3-dichlorophenyl)methylamino]-2-phenylethanol
CID 95026876
1-(4-chlorophenyl)-N-[(2,3-dichlorophenyl)methyl]propan-2-amine
CID 43677587
(2S)-2-[(2,3-dichlorophenyl)methylamino]butan-1-ol
CID 40726436
2-chloro-6-[[1-(3-chlorophenyl)propylamino]methyl]phenol
CID 115904752
1-(4-chlorophenyl)-N-[(3-ethyl-2-pyridinyl)methyl]propan-1-amine
CID 82732749
1-[1-(4-chlorophenyl)propyl]-3-(2,3-dichlorophenyl)urea
CID 17174463
1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]propan-1-amine
CID 43081616
3-[(2,3-dichlorophenyl)methylamino]pentan-1-ol
CID 115644707
(1S)-1-(4-bromophenyl)-N-[(2,3-dichlorophenyl)methyl]ethanamine
CID 81354018
1-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]propan-1-amine
CID 43194840

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(2,3-dichlorophenyl)methyl]propan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-[(2,3-dichlorophenyl)methyl]propan-1-amine (CID 43434316) is 1-(4-chlorophenyl)-N-[(2,3-dichlorophenyl)methyl]propan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(2,3-dichlorophenyl)methyl]propan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(2,3-dichlorophenyl)methyl]propan-1-amine is CCC(NCc1cccc(Cl)c1Cl)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(2,3-dichlorophenyl)methyl]propan-1-amine?
The InChIKey is BIMKKEGQQGOPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl3N/c1-2-15(11-6-8-13(17)9-7-11)20-10-12-4-3-5-14(18)16(12)19/h3-9,15,20H,2,10H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-[(2,3-dichlorophenyl)methyl]propan-1-amine?
1-(4-chlorophenyl)-N-[(2,3-dichlorophenyl)methyl]propan-1-amine has a molecular weight of 328.67 g/mol, XLogP of 5.89, 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-[(2,3-dichlorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 43434316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).