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

C9H11ClFN — CID 55254568

IUPAC1-(3-chloro-4-fluorophenyl)propan-2-amine
SMILESCC(N)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C9H11ClFN/c1-6(12)4-7-2-3-9(11)8(10)5-7/h2-3,5-6H,4,12H2,1H3
InChIKeyQECSSTFYHYKAKD-UHFFFAOYSA-N
MW187.65 g/mol
LogP2.37
Rot. Bonds2

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

1-(3-chloro-4-fluorophenyl)propan-2-amine (PubChem CID 55254568) has the molecular formula C9H11ClFN and a molecular weight of 187.65 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)propan-2-amine
PubChem CID55254568
Molecular FormulaC9H11ClFN
Molecular Weight187.65 g/mol
Exact Mass187.06
IUPAC Name1-(3-chloro-4-fluorophenyl)propan-2-amine
SMILESCC(N)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C9H11ClFN/c1-6(12)4-7-2-3-9(11)8(10)5-7/h2-3,5-6H,4,12H2,1H3
InChIKeyQECSSTFYHYKAKD-UHFFFAOYSA-N
XLogP2.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.65
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-4-fluorophenyl)butan-2-amine
CID 79020957
1-(4-chlorophenyl)propan-2-amine
CID 3127
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CID 103039784
1-(3-chloro-4-fluorophenyl)-4,4-dimethylpentan-2-amine
CID 103040033
3-(3-chloro-4-fluorophenyl)-2-methyl-1-phenylpropan-1-amine
CID 103038667
(2S)-1-(4-bromo-3-chlorophenyl)propan-2-amine
CID 130730966
1-(3-chloro-5-fluoro-4-methylphenyl)propan-2-amine
CID 117290522
5-[(2R)-2-aminopropyl]-2-(18F)fluoro(18F)phenol
CID 67474806
2-(3-chloro-4-fluorophenyl)-1-(4-methylphenyl)ethanamine
CID 103039768
1-[3-chloro-4-(2-fluorophenyl)sulfanylphenyl]propan-2-amine
CID 81160439
1-(3-ethyl-4-fluorophenyl)propan-2-amine
CID 117278913
1-(3-chloro-4-fluorophenyl)-4-methylpentan-2-ol
CID 103039007

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)propan-2-amine (CID 55254568) is 1-(3-chloro-4-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)propan-2-amine is CC(N)Cc1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)propan-2-amine?
The InChIKey is QECSSTFYHYKAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFN/c1-6(12)4-7-2-3-9(11)8(10)5-7/h2-3,5-6H,4,12H2,1H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)propan-2-amine?
1-(3-chloro-4-fluorophenyl)propan-2-amine has a molecular weight of 187.65 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)propan-2-amine is sourced from PubChem (CID 55254568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).