1-(5-chloro-2-fluorophenyl)-3-phenylpropan-2-amine

C15H15ClFN — CID 114843607

IUPAC1-(5-chloro-2-fluorophenyl)-3-phenylpropan-2-amine
SMILESNC(Cc1ccccc1)Cc1cc(Cl)ccc1F
InChIInChI=1S/C15H15ClFN/c16-13-6-7-15(17)12(9-13)10-14(18)8-11-4-2-1-3-5-11/h1-7,9,14H,8,10,18H2
InChIKeyJEAGWDBVZUKEBK-UHFFFAOYSA-N
MW263.74 g/mol
LogP3.59
Rot. Bonds4

About 1-(5-chloro-2-fluorophenyl)-3-phenylpropan-2-amine

1-(5-chloro-2-fluorophenyl)-3-phenylpropan-2-amine (PubChem CID 114843607) has the molecular formula C15H15ClFN and a molecular weight of 263.74 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-3-phenylpropan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-3-phenylpropan-2-amine
PubChem CID114843607
Molecular FormulaC15H15ClFN
Molecular Weight263.74 g/mol
Exact Mass263.09
IUPAC Name1-(5-chloro-2-fluorophenyl)-3-phenylpropan-2-amine
SMILESNC(Cc1ccccc1)Cc1cc(Cl)ccc1F
InChIInChI=1S/C15H15ClFN/c16-13-6-7-15(17)12(9-13)10-14(18)8-11-4-2-1-3-5-11/h1-7,9,14H,8,10,18H2
InChIKeyJEAGWDBVZUKEBK-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromophenyl)-3-(5-chloro-2-fluorophenyl)propan-2-amine
CID 103048411
1-(5-chloro-2-fluorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 103048816
1-(5-chloro-2-methoxyphenyl)-3-(2-fluorophenyl)propan-2-amine
CID 62605724
1-(4-chlorophenyl)-3-(2,3-difluorophenyl)propan-2-amine
CID 62601232
1-(4-fluoro-2-methylphenyl)-3-phenylpropan-2-amine
CID 62720947
1-(3-chlorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
CID 114931754
1-(2,5-difluorophenyl)-3-(4-methylphenyl)propan-2-amine
CID 62329924
1-(5-chloro-2-fluorophenyl)-5-phenylpentan-2-ol
CID 103053443
1-(5-chloro-2-nitrophenyl)-3-(4-fluorophenyl)propan-2-amine
CID 79556514
3-(5-chloro-2-fluorophenyl)-1-methoxy-1-phenylpropan-2-amine
CID 103049191
1-(5-bromo-2-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-amine
CID 63412312
1-(4-chlorophenyl)-3-(4-fluoro-2-methylphenyl)propan-2-amine
CID 114347640

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-phenylpropan-2-amine?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-phenylpropan-2-amine (CID 114843607) is 1-(5-chloro-2-fluorophenyl)-3-phenylpropan-2-amine.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-3-phenylpropan-2-amine?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-3-phenylpropan-2-amine is NC(Cc1ccccc1)Cc1cc(Cl)ccc1F.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-3-phenylpropan-2-amine?
The InChIKey is JEAGWDBVZUKEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN/c16-13-6-7-15(17)12(9-13)10-14(18)8-11-4-2-1-3-5-11/h1-7,9,14H,8,10,18H2.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-3-phenylpropan-2-amine?
1-(5-chloro-2-fluorophenyl)-3-phenylpropan-2-amine has a molecular weight of 263.74 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-3-phenylpropan-2-amine is sourced from PubChem (CID 114843607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).