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

C16H17ClFN — CID 19073580

IUPAC3-(4-chlorophenyl)-4-(4-fluorophenyl)butan-2-amine
SMILESCC(N)C(Cc1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClFN/c1-11(19)16(13-4-6-14(17)7-5-13)10-12-2-8-15(18)9-3-12/h2-9,11,16H,10,19H2,1H3
InChIKeyGWQABXFGTNTBLO-UHFFFAOYSA-N
MW277.77 g/mol
LogP4.15
Rot. Bonds4

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

3-(4-chlorophenyl)-4-(4-fluorophenyl)butan-2-amine (PubChem CID 19073580) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-(4-fluorophenyl)butan-2-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-(4-fluorophenyl)butan-2-amine
PubChem CID19073580
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC Name3-(4-chlorophenyl)-4-(4-fluorophenyl)butan-2-amine
SMILESCC(N)C(Cc1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClFN/c1-11(19)16(13-4-6-14(17)7-5-13)10-12-2-8-15(18)9-3-12/h2-9,11,16H,10,19H2,1H3
InChIKeyGWQABXFGTNTBLO-UHFFFAOYSA-N
XLogP4.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 54.15
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-(4-fluorophenyl)butan-2-amine?
The IUPAC name of 3-(4-chlorophenyl)-4-(4-fluorophenyl)butan-2-amine (CID 19073580) is 3-(4-chlorophenyl)-4-(4-fluorophenyl)butan-2-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-4-(4-fluorophenyl)butan-2-amine?
The canonical SMILES for 3-(4-chlorophenyl)-4-(4-fluorophenyl)butan-2-amine is CC(N)C(Cc1ccc(F)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-4-(4-fluorophenyl)butan-2-amine?
The InChIKey is GWQABXFGTNTBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-11(19)16(13-4-6-14(17)7-5-13)10-12-2-8-15(18)9-3-12/h2-9,11,16H,10,19H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-4-(4-fluorophenyl)butan-2-amine?
3-(4-chlorophenyl)-4-(4-fluorophenyl)butan-2-amine has a molecular weight of 277.77 g/mol, XLogP of 4.15, 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-(4-fluorophenyl)butan-2-amine is sourced from PubChem (CID 19073580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).