4-(4-chloro-2-fluorophenyl)-3-(4-chlorophenyl)butan-2-amine

C16H16Cl2FN — CID 22270756

IUPAC4-(4-chloro-2-fluorophenyl)-3-(4-chlorophenyl)butan-2-amine
SMILESCC(N)C(Cc1ccc(Cl)cc1F)c1ccc(Cl)cc1
InChIInChI=1S/C16H16Cl2FN/c1-10(20)15(11-2-5-13(17)6-3-11)8-12-4-7-14(18)9-16(12)19/h2-7,9-10,15H,8,20H2,1H3
InChIKeyNIDGYZSKCINXDA-UHFFFAOYSA-N
MW312.22 g/mol
LogP4.81
Rot. Bonds4

About 4-(4-chloro-2-fluorophenyl)-3-(4-chlorophenyl)butan-2-amine

4-(4-chloro-2-fluorophenyl)-3-(4-chlorophenyl)butan-2-amine (PubChem CID 22270756) has the molecular formula C16H16Cl2FN and a molecular weight of 312.22 g/mol. Its IUPAC name is 4-(4-chloro-2-fluorophenyl)-3-(4-chlorophenyl)butan-2-amine.

Molecular Properties

Compound Name4-(4-chloro-2-fluorophenyl)-3-(4-chlorophenyl)butan-2-amine
PubChem CID22270756
Molecular FormulaC16H16Cl2FN
Molecular Weight312.22 g/mol
Exact Mass311.06
IUPAC Name4-(4-chloro-2-fluorophenyl)-3-(4-chlorophenyl)butan-2-amine
SMILESCC(N)C(Cc1ccc(Cl)cc1F)c1ccc(Cl)cc1
InChIInChI=1S/C16H16Cl2FN/c1-10(20)15(11-2-5-13(17)6-3-11)8-12-4-7-14(18)9-16(12)19/h2-7,9-10,15H,8,20H2,1H3
InChIKeyNIDGYZSKCINXDA-UHFFFAOYSA-N
XLogP4.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.22
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-fluorophenyl)-3-(4-chlorophenyl)butan-2-amine?
The IUPAC name of 4-(4-chloro-2-fluorophenyl)-3-(4-chlorophenyl)butan-2-amine (CID 22270756) is 4-(4-chloro-2-fluorophenyl)-3-(4-chlorophenyl)butan-2-amine.
What is the SMILES notation for 4-(4-chloro-2-fluorophenyl)-3-(4-chlorophenyl)butan-2-amine?
The canonical SMILES for 4-(4-chloro-2-fluorophenyl)-3-(4-chlorophenyl)butan-2-amine is CC(N)C(Cc1ccc(Cl)cc1F)c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chloro-2-fluorophenyl)-3-(4-chlorophenyl)butan-2-amine?
The InChIKey is NIDGYZSKCINXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2FN/c1-10(20)15(11-2-5-13(17)6-3-11)8-12-4-7-14(18)9-16(12)19/h2-7,9-10,15H,8,20H2,1H3.
What are the key properties of 4-(4-chloro-2-fluorophenyl)-3-(4-chlorophenyl)butan-2-amine?
4-(4-chloro-2-fluorophenyl)-3-(4-chlorophenyl)butan-2-amine has a molecular weight of 312.22 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-fluorophenyl)-3-(4-chlorophenyl)butan-2-amine is sourced from PubChem (CID 22270756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).