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

C16H16ClF2N — CID 19073628

IUPAC3-(4-chlorophenyl)-4-(3,4-difluorophenyl)butan-2-amine
SMILESCC(N)C(Cc1ccc(F)c(F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClF2N/c1-10(20)14(12-3-5-13(17)6-4-12)8-11-2-7-15(18)16(19)9-11/h2-7,9-10,14H,8,20H2,1H3
InChIKeyUEMPSWNASBWGMF-UHFFFAOYSA-N
MW295.76 g/mol
LogP4.29
Rot. Bonds4

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

3-(4-chlorophenyl)-4-(3,4-difluorophenyl)butan-2-amine (PubChem CID 19073628) has the molecular formula C16H16ClF2N and a molecular weight of 295.76 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-(3,4-difluorophenyl)butan-2-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-(3,4-difluorophenyl)butan-2-amine
PubChem CID19073628
Molecular FormulaC16H16ClF2N
Molecular Weight295.76 g/mol
Exact Mass295.09
IUPAC Name3-(4-chlorophenyl)-4-(3,4-difluorophenyl)butan-2-amine
SMILESCC(N)C(Cc1ccc(F)c(F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClF2N/c1-10(20)14(12-3-5-13(17)6-4-12)8-11-2-7-15(18)16(19)9-11/h2-7,9-10,14H,8,20H2,1H3
InChIKeyUEMPSWNASBWGMF-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 3-(4-chlorophenyl)-4-(3,4-difluorophenyl)butan-2-amine?
The IUPAC name of 3-(4-chlorophenyl)-4-(3,4-difluorophenyl)butan-2-amine (CID 19073628) is 3-(4-chlorophenyl)-4-(3,4-difluorophenyl)butan-2-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-4-(3,4-difluorophenyl)butan-2-amine?
The canonical SMILES for 3-(4-chlorophenyl)-4-(3,4-difluorophenyl)butan-2-amine is CC(N)C(Cc1ccc(F)c(F)c1)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-4-(3,4-difluorophenyl)butan-2-amine?
The InChIKey is UEMPSWNASBWGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2N/c1-10(20)14(12-3-5-13(17)6-4-12)8-11-2-7-15(18)16(19)9-11/h2-7,9-10,14H,8,20H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-4-(3,4-difluorophenyl)butan-2-amine?
3-(4-chlorophenyl)-4-(3,4-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 3-(4-chlorophenyl)-4-(3,4-difluorophenyl)butan-2-amine is sourced from PubChem (CID 19073628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).