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

C15H15ClFN — CID 114013903

IUPAC3-(4-chloro-3-fluorophenyl)-2-phenylpropan-1-amine
SMILESNCC(Cc1ccc(Cl)c(F)c1)c1ccccc1
InChIInChI=1S/C15H15ClFN/c16-14-7-6-11(9-15(14)17)8-13(10-18)12-4-2-1-3-5-12/h1-7,9,13H,8,10,18H2
InChIKeyQSHLEGKMRGLKOC-UHFFFAOYSA-N
MW263.74 g/mol
LogP3.76
Rot. Bonds4

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

3-(4-chloro-3-fluorophenyl)-2-phenylpropan-1-amine (PubChem CID 114013903) has the molecular formula C15H15ClFN and a molecular weight of 263.74 g/mol. Its IUPAC name is 3-(4-chloro-3-fluorophenyl)-2-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(4-chloro-3-fluorophenyl)-2-phenylpropan-1-amine
PubChem CID114013903
Molecular FormulaC15H15ClFN
Molecular Weight263.74 g/mol
Exact Mass263.09
IUPAC Name3-(4-chloro-3-fluorophenyl)-2-phenylpropan-1-amine
SMILESNCC(Cc1ccc(Cl)c(F)c1)c1ccccc1
InChIInChI=1S/C15H15ClFN/c16-14-7-6-11(9-15(14)17)8-13(10-18)12-4-2-1-3-5-12/h1-7,9,13H,8,10,18H2
InChIKeyQSHLEGKMRGLKOC-UHFFFAOYSA-N
XLogP3.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.74
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-chloro-4-methoxyphenyl)-2-phenylpropan-1-amine
CID 82141792
3-(2,5-dichlorophenyl)-2-phenylpropan-1-amine
CID 65431893
4-(3-chloro-4-fluorophenyl)-2-phenylbutan-1-amine
CID 103042297
4-amino-1-(4-chloro-3-fluorophenyl)-3-phenylbutan-2-one
CID 107889994
3-(3,4-difluorophenyl)-2-(4-fluorophenyl)propan-1-amine
CID 82930179
3-(3-chloro-4-fluorophenyl)-2-(2-chlorophenyl)propan-1-amine
CID 103041153
4-(4-chloro-3-fluorophenyl)-1-phenylbutan-1-ol
CID 107888245
3-(3,4-difluorophenyl)-2-(4-methylphenyl)propan-1-amine
CID 82929801
1-(4-chloro-3-fluorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-amine
CID 107884862
3-(4-bromophenyl)-2-phenylpropan-1-amine
CID 65429656
3-(4-chloro-3-fluorophenyl)-2-fluoropropanoic acid
CID 130820068
2-amino-3-(4-chloro-3-fluorophenyl)propanoic acid
CID 11053116

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-fluorophenyl)-2-phenylpropan-1-amine?
The IUPAC name of 3-(4-chloro-3-fluorophenyl)-2-phenylpropan-1-amine (CID 114013903) is 3-(4-chloro-3-fluorophenyl)-2-phenylpropan-1-amine.
What is the SMILES notation for 3-(4-chloro-3-fluorophenyl)-2-phenylpropan-1-amine?
The canonical SMILES for 3-(4-chloro-3-fluorophenyl)-2-phenylpropan-1-amine is NCC(Cc1ccc(Cl)c(F)c1)c1ccccc1.
What is the InChIKey of 3-(4-chloro-3-fluorophenyl)-2-phenylpropan-1-amine?
The InChIKey is QSHLEGKMRGLKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN/c16-14-7-6-11(9-15(14)17)8-13(10-18)12-4-2-1-3-5-12/h1-7,9,13H,8,10,18H2.
What are the key properties of 3-(4-chloro-3-fluorophenyl)-2-phenylpropan-1-amine?
3-(4-chloro-3-fluorophenyl)-2-phenylpropan-1-amine has a molecular weight of 263.74 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-fluorophenyl)-2-phenylpropan-1-amine is sourced from PubChem (CID 114013903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).