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

C15H14Cl3N — CID 79448884

IUPAC2-(2-chlorophenyl)-3-(2,4-dichlorophenyl)propan-1-amine
SMILESNCC(Cc1ccc(Cl)cc1Cl)c1ccccc1Cl
InChIInChI=1S/C15H14Cl3N/c16-12-6-5-10(15(18)8-12)7-11(9-19)13-3-1-2-4-14(13)17/h1-6,8,11H,7,9,19H2
InChIKeyUINTXAOUUUHQSI-UHFFFAOYSA-N
MW314.64 g/mol
LogP4.93
Rot. Bonds4

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

2-(2-chlorophenyl)-3-(2,4-dichlorophenyl)propan-1-amine (PubChem CID 79448884) has the molecular formula C15H14Cl3N and a molecular weight of 314.64 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-(2,4-dichlorophenyl)propan-1-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-(2,4-dichlorophenyl)propan-1-amine
PubChem CID79448884
Molecular FormulaC15H14Cl3N
Molecular Weight314.64 g/mol
Exact Mass313.02
IUPAC Name2-(2-chlorophenyl)-3-(2,4-dichlorophenyl)propan-1-amine
SMILESNCC(Cc1ccc(Cl)cc1Cl)c1ccccc1Cl
InChIInChI=1S/C15H14Cl3N/c16-12-6-5-10(15(18)8-12)7-11(9-19)13-3-1-2-4-14(13)17/h1-6,8,11H,7,9,19H2
InChIKeyUINTXAOUUUHQSI-UHFFFAOYSA-N
XLogP4.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.64
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chlorophenyl)-3-(2,4-dichlorophenyl)-N-ethylpropan-1-amine
CID 79436036
3-(2-chloro-5-fluorophenyl)-2-(2-chlorophenyl)propan-1-amine
CID 102619974
3-(3-chloro-4-fluorophenyl)-2-(2-chlorophenyl)propan-1-amine
CID 103041153
1,4-dichloro-2-[3-chloro-2-(2-chlorophenyl)propyl]benzene
CID 79455159
2-(2,4-dichlorophenyl)-1-(2-fluorophenyl)ethanamine
CID 62502807
2-chloro-1-[3-chloro-2-(2-chlorophenyl)propyl]-4-fluorobenzene
CID 79455239
3-(2-chloro-4-fluorophenyl)-2-(3-chlorophenyl)propan-1-amine
CID 79443118
3-(2,5-dichlorophenyl)-2-phenylpropan-1-amine
CID 65431893
3-(3-bromo-2,6-difluorophenyl)-2-(2-chlorophenyl)propan-1-amine
CID 106271749
2-(2,4-dichlorophenyl)-1-(2,6-dichlorophenyl)ethanamine
CID 115839922
1-(2,3-dichlorophenyl)-2-(2,4-dichlorophenyl)ethanol
CID 55187922
3-amino-2-(2,4-dichlorophenyl)propan-1-ol
CID 79684863

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-(2,4-dichlorophenyl)propan-1-amine?
The IUPAC name of 2-(2-chlorophenyl)-3-(2,4-dichlorophenyl)propan-1-amine (CID 79448884) is 2-(2-chlorophenyl)-3-(2,4-dichlorophenyl)propan-1-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-3-(2,4-dichlorophenyl)propan-1-amine?
The canonical SMILES for 2-(2-chlorophenyl)-3-(2,4-dichlorophenyl)propan-1-amine is NCC(Cc1ccc(Cl)cc1Cl)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-3-(2,4-dichlorophenyl)propan-1-amine?
The InChIKey is UINTXAOUUUHQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl3N/c16-12-6-5-10(15(18)8-12)7-11(9-19)13-3-1-2-4-14(13)17/h1-6,8,11H,7,9,19H2.
What are the key properties of 2-(2-chlorophenyl)-3-(2,4-dichlorophenyl)propan-1-amine?
2-(2-chlorophenyl)-3-(2,4-dichlorophenyl)propan-1-amine has a molecular weight of 314.64 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-(2,4-dichlorophenyl)propan-1-amine is sourced from PubChem (CID 79448884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).