1-(2-chloro-3-fluorophenyl)-4-phenylbutan-2-amine

C16H17ClFN — CID 112653635

IUPAC1-(2-chloro-3-fluorophenyl)-4-phenylbutan-2-amine
SMILESNC(CCc1ccccc1)Cc1cccc(F)c1Cl
InChIInChI=1S/C16H17ClFN/c17-16-13(7-4-8-15(16)18)11-14(19)10-9-12-5-2-1-3-6-12/h1-8,14H,9-11,19H2
InChIKeyALSSHSUGUFLWQS-UHFFFAOYSA-N
MW277.77 g/mol
LogP3.98
Rot. Bonds5

About 1-(2-chloro-3-fluorophenyl)-4-phenylbutan-2-amine

1-(2-chloro-3-fluorophenyl)-4-phenylbutan-2-amine (PubChem CID 112653635) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)-4-phenylbutan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)-4-phenylbutan-2-amine
PubChem CID112653635
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC Name1-(2-chloro-3-fluorophenyl)-4-phenylbutan-2-amine
SMILESNC(CCc1ccccc1)Cc1cccc(F)c1Cl
InChIInChI=1S/C16H17ClFN/c17-16-13(7-4-8-15(16)18)11-14(19)10-9-12-5-2-1-3-6-12/h1-8,14H,9-11,19H2
InChIKeyALSSHSUGUFLWQS-UHFFFAOYSA-N
XLogP3.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-3-fluorophenyl)octan-2-amine
CID 105032513
1-(2-chloro-3-fluorophenyl)nonan-2-amine
CID 105032502
1-(2-chloro-3-fluorophenyl)-3-phenylpropan-1-amine
CID 54088425
1-(2,4-difluorophenyl)-4-phenylbutan-2-amine
CID 62196088
1-(2-chloro-3-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-amine
CID 105032555
1-(2-chloro-3-fluorophenyl)-5-thiophen-2-ylpentan-2-amine
CID 105178908
1,4-diphenylbutan-2-amine
CID 60820174
1-(2-fluorophenyl)-4-(3-methylphenyl)butan-2-amine
CID 62365879
1-(4-bromo-2-fluorophenyl)-4-phenylbutan-2-amine
CID 55095032
1-(2-chloro-3-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-amine
CID 115983731
1-(4-fluoro-2-methylphenyl)-4-phenylbutan-2-amine
CID 114347745
(2S,5R)-1,7-diphenylheptane-2,5-diamine
CID 126603451

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorophenyl)-4-phenylbutan-2-amine?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)-4-phenylbutan-2-amine (CID 112653635) is 1-(2-chloro-3-fluorophenyl)-4-phenylbutan-2-amine.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)-4-phenylbutan-2-amine?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)-4-phenylbutan-2-amine is NC(CCc1ccccc1)Cc1cccc(F)c1Cl.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)-4-phenylbutan-2-amine?
The InChIKey is ALSSHSUGUFLWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN/c17-16-13(7-4-8-15(16)18)11-14(19)10-9-12-5-2-1-3-6-12/h1-8,14H,9-11,19H2.
What are the key properties of 1-(2-chloro-3-fluorophenyl)-4-phenylbutan-2-amine?
1-(2-chloro-3-fluorophenyl)-4-phenylbutan-2-amine has a molecular weight of 277.77 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-fluorophenyl)-4-phenylbutan-2-amine is sourced from PubChem (CID 112653635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).