2-[(2-chloro-4-fluorophenyl)methyl]-3-(3-chlorophenyl)propan-1-amine

C16H16Cl2FN — CID 63496703

IUPAC2-[(2-chloro-4-fluorophenyl)methyl]-3-(3-chlorophenyl)propan-1-amine
SMILESNCC(Cc1cccc(Cl)c1)Cc1ccc(F)cc1Cl
InChIInChI=1S/C16H16Cl2FN/c17-14-3-1-2-11(8-14)6-12(10-20)7-13-4-5-15(19)9-16(13)18/h1-5,8-9,12H,6-7,10,20H2
InChIKeyWFLGXPUVJVIMNO-UHFFFAOYSA-N
MW312.22 g/mol
LogP4.49
Rot. Bonds5

About 2-[(2-chloro-4-fluorophenyl)methyl]-3-(3-chlorophenyl)propan-1-amine

2-[(2-chloro-4-fluorophenyl)methyl]-3-(3-chlorophenyl)propan-1-amine (PubChem CID 63496703) has the molecular formula C16H16Cl2FN and a molecular weight of 312.22 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorophenyl)methyl]-3-(3-chlorophenyl)propan-1-amine.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorophenyl)methyl]-3-(3-chlorophenyl)propan-1-amine
PubChem CID63496703
Molecular FormulaC16H16Cl2FN
Molecular Weight312.22 g/mol
Exact Mass311.06
IUPAC Name2-[(2-chloro-4-fluorophenyl)methyl]-3-(3-chlorophenyl)propan-1-amine
SMILESNCC(Cc1cccc(Cl)c1)Cc1ccc(F)cc1Cl
InChIInChI=1S/C16H16Cl2FN/c17-14-3-1-2-11(8-14)6-12(10-20)7-13-4-5-15(19)9-16(13)18/h1-5,8-9,12H,6-7,10,20H2
InChIKeyWFLGXPUVJVIMNO-UHFFFAOYSA-N
XLogP4.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.22
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-bromo-5-fluorophenyl)methyl]-3-(3-chlorophenyl)propan-1-amine
CID 63496159
2-[(3-chlorophenyl)methyl]-3-(2,5-dichlorophenyl)propan-1-amine
CID 65318331
[1-(2-chloro-4-fluorophenyl)-3-(3-chlorophenyl)propan-2-yl]hydrazine
CID 105194827
1-(2-chloro-4-fluorophenyl)-3-(3-chlorophenyl)-N-methylpropan-2-amine
CID 62600122
2-[(2,5-difluorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 62528800
3-(2-chloro-4-fluorophenyl)-2-(3-chlorophenyl)propan-1-amine
CID 79443118
1-(2-chloro-4-fluorophenyl)-3-(3-chlorophenyl)-N-ethylpropan-2-amine
CID 63411998
2-[(2,6-dichlorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 63496881
2-benzyl-3-(2-chloro-4-fluorophenyl)propan-1-ol
CID 66058724
2-[(2,4-difluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62530586
2-[(3-bromophenyl)methyl]-3-(5-chloro-2-fluorophenyl)propan-1-amine
CID 103049610
2-[(2,3-difluorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 62530589

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluorophenyl)methyl]-3-(3-chlorophenyl)propan-1-amine?
The IUPAC name of 2-[(2-chloro-4-fluorophenyl)methyl]-3-(3-chlorophenyl)propan-1-amine (CID 63496703) is 2-[(2-chloro-4-fluorophenyl)methyl]-3-(3-chlorophenyl)propan-1-amine.
What is the SMILES notation for 2-[(2-chloro-4-fluorophenyl)methyl]-3-(3-chlorophenyl)propan-1-amine?
The canonical SMILES for 2-[(2-chloro-4-fluorophenyl)methyl]-3-(3-chlorophenyl)propan-1-amine is NCC(Cc1cccc(Cl)c1)Cc1ccc(F)cc1Cl.
What is the InChIKey of 2-[(2-chloro-4-fluorophenyl)methyl]-3-(3-chlorophenyl)propan-1-amine?
The InChIKey is WFLGXPUVJVIMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2FN/c17-14-3-1-2-11(8-14)6-12(10-20)7-13-4-5-15(19)9-16(13)18/h1-5,8-9,12H,6-7,10,20H2.
What are the key properties of 2-[(2-chloro-4-fluorophenyl)methyl]-3-(3-chlorophenyl)propan-1-amine?
2-[(2-chloro-4-fluorophenyl)methyl]-3-(3-chlorophenyl)propan-1-amine has a molecular weight of 312.22 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-fluorophenyl)methyl]-3-(3-chlorophenyl)propan-1-amine is sourced from PubChem (CID 63496703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).