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

C15H15ClFN — CID 54088425

IUPAC1-(2-chloro-3-fluorophenyl)-3-phenylpropan-1-amine
SMILESNC(CCc1ccccc1)c1cccc(F)c1Cl
InChIInChI=1S/C15H15ClFN/c16-15-12(7-4-8-13(15)17)14(18)10-9-11-5-2-1-3-6-11/h1-8,14H,9-10,18H2
InChIKeyACZSSYPTDOWCFA-UHFFFAOYSA-N
MW263.74 g/mol
LogP4.11
Rot. Bonds4

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

1-(2-chloro-3-fluorophenyl)-3-phenylpropan-1-amine (PubChem CID 54088425) has the molecular formula C15H15ClFN and a molecular weight of 263.74 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)-3-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)-3-phenylpropan-1-amine
PubChem CID54088425
Molecular FormulaC15H15ClFN
Molecular Weight263.74 g/mol
Exact Mass263.09
IUPAC Name1-(2-chloro-3-fluorophenyl)-3-phenylpropan-1-amine
SMILESNC(CCc1ccccc1)c1cccc(F)c1Cl
InChIInChI=1S/C15H15ClFN/c16-15-12(7-4-8-13(15)17)14(18)10-9-11-5-2-1-3-6-11/h1-8,14H,9-10,18H2
InChIKeyACZSSYPTDOWCFA-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(2-chloro-3-fluorophenyl)propane-1,3-diamine
CID 171222588
1-(2-chlorophenyl)-3-phenylpropan-1-amine
CID 54014885
1-(2-chloro-3-fluorophenyl)-4-phenylbutan-2-amine
CID 112653635
(1S)-1-(2-chloro-3-fluorophenyl)hexan-1-amine
CID 171222601
1-(2-chloro-3-fluorophenyl)-3-cyclopropylpropan-1-amine
CID 104995027
1-(5-bromo-2-fluorophenyl)-3-phenylpropan-1-amine
CID 79742290
1-(2-chloro-3-fluorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030836
(1S)-1-(2-chloro-3-fluorophenyl)-3-methylbutan-1-amine
CID 131303986
1-(2-chloro-3-fluorophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine
CID 102866438
1-(2-methylphenyl)-3-phenylpropan-1-amine
CID 54919026
(1S)-1-(2-chloro-3-fluorophenyl)but-3-en-1-amine
CID 55272952
1-(2-chloro-3-fluorophenyl)-2-pyridin-4-ylethanamine
CID 81454296

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorophenyl)-3-phenylpropan-1-amine?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)-3-phenylpropan-1-amine (CID 54088425) is 1-(2-chloro-3-fluorophenyl)-3-phenylpropan-1-amine.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)-3-phenylpropan-1-amine?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)-3-phenylpropan-1-amine is NC(CCc1ccccc1)c1cccc(F)c1Cl.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)-3-phenylpropan-1-amine?
The InChIKey is ACZSSYPTDOWCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN/c16-15-12(7-4-8-13(15)17)14(18)10-9-11-5-2-1-3-6-11/h1-8,14H,9-10,18H2.
What are the key properties of 1-(2-chloro-3-fluorophenyl)-3-phenylpropan-1-amine?
1-(2-chloro-3-fluorophenyl)-3-phenylpropan-1-amine has a molecular weight of 263.74 g/mol, XLogP of 4.11, 4 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)-3-phenylpropan-1-amine is sourced from PubChem (CID 54088425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).