4-(4-chlorophenyl)-3-(3,5-difluorophenyl)butan-2-amine

C16H16ClF2N — CID 22270483

IUPAC4-(4-chlorophenyl)-3-(3,5-difluorophenyl)butan-2-amine
SMILESCC(N)C(Cc1ccc(Cl)cc1)c1cc(F)cc(F)c1
InChIInChI=1S/C16H16ClF2N/c1-10(20)16(6-11-2-4-13(17)5-3-11)12-7-14(18)9-15(19)8-12/h2-5,7-10,16H,6,20H2,1H3
InChIKeyVLTXRMLDUJHWSS-UHFFFAOYSA-N
MW295.76 g/mol
LogP4.29
Rot. Bonds4

About 4-(4-chlorophenyl)-3-(3,5-difluorophenyl)butan-2-amine

4-(4-chlorophenyl)-3-(3,5-difluorophenyl)butan-2-amine (PubChem CID 22270483) has the molecular formula C16H16ClF2N and a molecular weight of 295.76 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-3-(3,5-difluorophenyl)butan-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-3-(3,5-difluorophenyl)butan-2-amine
PubChem CID22270483
Molecular FormulaC16H16ClF2N
Molecular Weight295.76 g/mol
Exact Mass295.09
IUPAC Name4-(4-chlorophenyl)-3-(3,5-difluorophenyl)butan-2-amine
SMILESCC(N)C(Cc1ccc(Cl)cc1)c1cc(F)cc(F)c1
InChIInChI=1S/C16H16ClF2N/c1-10(20)16(6-11-2-4-13(17)5-3-11)12-7-14(18)9-15(19)8-12/h2-5,7-10,16H,6,20H2,1H3
InChIKeyVLTXRMLDUJHWSS-UHFFFAOYSA-N
XLogP4.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.76
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-3-(3,5-difluorophenyl)butan-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-3-(3,5-difluorophenyl)butan-2-amine (CID 22270483) is 4-(4-chlorophenyl)-3-(3,5-difluorophenyl)butan-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-3-(3,5-difluorophenyl)butan-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-3-(3,5-difluorophenyl)butan-2-amine is CC(N)C(Cc1ccc(Cl)cc1)c1cc(F)cc(F)c1.
What is the InChIKey of 4-(4-chlorophenyl)-3-(3,5-difluorophenyl)butan-2-amine?
The InChIKey is VLTXRMLDUJHWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2N/c1-10(20)16(6-11-2-4-13(17)5-3-11)12-7-14(18)9-15(19)8-12/h2-5,7-10,16H,6,20H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-3-(3,5-difluorophenyl)butan-2-amine?
4-(4-chlorophenyl)-3-(3,5-difluorophenyl)butan-2-amine has a molecular weight of 295.76 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-3-(3,5-difluorophenyl)butan-2-amine is sourced from PubChem (CID 22270483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).