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

C16H16Cl3N — CID 107309618

IUPAC2-[(4-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine
SMILESNCC(Cc1ccc(Cl)cc1)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C16H16Cl3N/c17-14-6-4-11(5-7-14)8-12(10-20)9-13-2-1-3-15(18)16(13)19/h1-7,12H,8-10,20H2
InChIKeyNEOFFRVSMXZKSA-UHFFFAOYSA-N
MW328.67 g/mol
LogP5.01
Rot. Bonds5

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

2-[(4-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine (PubChem CID 107309618) has the molecular formula C16H16Cl3N and a molecular weight of 328.67 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine
PubChem CID107309618
Molecular FormulaC16H16Cl3N
Molecular Weight328.67 g/mol
Exact Mass327.03
IUPAC Name2-[(4-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine
SMILESNCC(Cc1ccc(Cl)cc1)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C16H16Cl3N/c17-14-6-4-11(5-7-14)8-12(10-20)9-13-2-1-3-15(18)16(13)19/h1-7,12H,8-10,20H2
InChIKeyNEOFFRVSMXZKSA-UHFFFAOYSA-N
XLogP5.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.67
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-benzyl-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309611
2-[(2-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309628
2-[(2,3-dichlorophenyl)methyl]-3-(2-fluorophenyl)propan-1-amine
CID 107309627
2-[(3-bromophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309624
(2R)-2-(aminomethyl)-3-(2,3-dichlorophenyl)propan-1-ol
CID 95001596
2-[(2,3-dichlorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 107309626
2-benzyl-3-(2-chlorophenyl)propan-1-amine
CID 62504845
2-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)propan-1-amine
CID 63496346
1,2-dichloro-3-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]benzene
CID 107310776
2-[(3-chloro-2-fluorophenyl)methyl]-3-(4-methylphenyl)propan-1-amine
CID 102858628
2-benzyl-3-(2,3-dichlorophenyl)propan-1-ol
CID 107310710
2-[(4-chlorophenyl)methyl]-3-(4-ethylphenyl)propan-1-amine
CID 63498649

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine (CID 107309618) is 2-[(4-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine is NCC(Cc1ccc(Cl)cc1)Cc1cccc(Cl)c1Cl.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine?
The InChIKey is NEOFFRVSMXZKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl3N/c17-14-6-4-11(5-7-14)8-12(10-20)9-13-2-1-3-15(18)16(13)19/h1-7,12H,8-10,20H2.
What are the key properties of 2-[(4-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine?
2-[(4-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine has a molecular weight of 328.67 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine is sourced from PubChem (CID 107309618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).