1-(4-chloro-2-fluorophenyl)-2-(4-chlorophenyl)propane-1,2-diamine

C15H15Cl2FN2 — CID 58007443

IUPAC1-(4-chloro-2-fluorophenyl)-2-(4-chlorophenyl)propane-1,2-diamine
SMILESCC(N)(c1ccc(Cl)cc1)C(N)c1ccc(Cl)cc1F
InChIInChI=1S/C15H15Cl2FN2/c1-15(20,9-2-4-10(16)5-3-9)14(19)12-7-6-11(17)8-13(12)18/h2-8,14H,19-20H2,1H3
InChIKeyGCWNDJPGDXOACQ-UHFFFAOYSA-N
MW313.20 g/mol
LogP4.01
Rot. Bonds3

About 1-(4-chloro-2-fluorophenyl)-2-(4-chlorophenyl)propane-1,2-diamine

1-(4-chloro-2-fluorophenyl)-2-(4-chlorophenyl)propane-1,2-diamine (PubChem CID 58007443) has the molecular formula C15H15Cl2FN2 and a molecular weight of 313.20 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-2-(4-chlorophenyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-2-(4-chlorophenyl)propane-1,2-diamine
PubChem CID58007443
Molecular FormulaC15H15Cl2FN2
Molecular Weight313.20 g/mol
Exact Mass312.06
IUPAC Name1-(4-chloro-2-fluorophenyl)-2-(4-chlorophenyl)propane-1,2-diamine
SMILESCC(N)(c1ccc(Cl)cc1)C(N)c1ccc(Cl)cc1F
InChIInChI=1S/C15H15Cl2FN2/c1-15(20,9-2-4-10(16)5-3-9)14(19)12-7-6-11(17)8-13(12)18/h2-8,14H,19-20H2,1H3
InChIKeyGCWNDJPGDXOACQ-UHFFFAOYSA-N
XLogP4.01
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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(4-Chlorophenyl)(phenyl)methanamine
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1-(2,4-Dichloro-5-fluorophenyl)ethan-1-amine
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1-(4-Chlorophenyl)propan-1-amine
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2-(4-Chlorophenyl)-1-phenylethan-1-amine--hydrogen chloride (1/1)
CID 3052629
4-Chlorobenzhydrylamine hydrochloride
CID 16219096
trans-2-(4-Chlorophenyl)-2-fluorocyclopropanamine
CID 11241513
cis-2-(4-Chlorophenyl)-2-fluorocyclopropanamine
CID 11390419
(2R)-2-(4-Chlorophenyl)-2-phenylethanamine
CID 16122635

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-2-(4-chlorophenyl)propane-1,2-diamine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-2-(4-chlorophenyl)propane-1,2-diamine (CID 58007443) is 1-(4-chloro-2-fluorophenyl)-2-(4-chlorophenyl)propane-1,2-diamine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-2-(4-chlorophenyl)propane-1,2-diamine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-2-(4-chlorophenyl)propane-1,2-diamine is CC(N)(c1ccc(Cl)cc1)C(N)c1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-2-(4-chlorophenyl)propane-1,2-diamine?
The InChIKey is GCWNDJPGDXOACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2FN2/c1-15(20,9-2-4-10(16)5-3-9)14(19)12-7-6-11(17)8-13(12)18/h2-8,14H,19-20H2,1H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-2-(4-chlorophenyl)propane-1,2-diamine?
1-(4-chloro-2-fluorophenyl)-2-(4-chlorophenyl)propane-1,2-diamine has a molecular weight of 313.20 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-2-(4-chlorophenyl)propane-1,2-diamine is sourced from PubChem (CID 58007443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).