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

C9H12Cl2FN — CID 75366828

IUPAC3-(2-chloro-4-fluorophenyl)propan-1-amine;hydrochloride
SMILESCl.NCCCc1ccc(F)cc1Cl
InChIInChI=1S/C9H11ClFN.ClH/c10-9-6-8(11)4-3-7(9)2-1-5-12;/h3-4,6H,1-2,5,12H2;1H
InChIKeyGYPJWURAEKOCPP-UHFFFAOYSA-N
MW224.11 g/mol
LogP2.79
Rot. Bonds3

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

3-(2-chloro-4-fluorophenyl)propan-1-amine;hydrochloride (PubChem CID 75366828) has the molecular formula C9H12Cl2FN and a molecular weight of 224.11 g/mol. Its IUPAC name is 3-(2-chloro-4-fluorophenyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(2-chloro-4-fluorophenyl)propan-1-amine;hydrochloride
PubChem CID75366828
Molecular FormulaC9H12Cl2FN
Molecular Weight224.11 g/mol
Exact Mass223.03
IUPAC Name3-(2-chloro-4-fluorophenyl)propan-1-amine;hydrochloride
SMILESCl.NCCCc1ccc(F)cc1Cl
InChIInChI=1S/C9H11ClFN.ClH/c10-9-6-8(11)4-3-7(9)2-1-5-12;/h3-4,6H,1-2,5,12H2;1H
InChIKeyGYPJWURAEKOCPP-UHFFFAOYSA-N
XLogP2.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.11
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-chloro-1-(4-chloroheptyl)-4-fluorobenzene
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1-(4-bromo-5-methylhexyl)-2-chloro-4-fluorobenzene
CID 64506305
3-[4-fluoro-2-(methoxymethyl)phenyl]propan-1-amine
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CID 175176503
2-[2-chloro-4-(4-fluorophenyl)sulfanylphenyl]ethanamine
CID 114065045
3-(3-chloro-5-fluoro-2-methoxyphenyl)propan-1-amine
CID 83887887
4-[1-[(2-chloro-4-fluorophenyl)methyl]triazol-4-yl]butan-1-amine
CID 104539145
3-(4-chloro-3-fluoro-2-methylphenyl)propan-1-amine
CID 84776584
3-(5-fluoro-2-methoxyphenyl)propan-1-amine
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CID 53434310

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-fluorophenyl)propan-1-amine;hydrochloride?
The IUPAC name of 3-(2-chloro-4-fluorophenyl)propan-1-amine;hydrochloride (CID 75366828) is 3-(2-chloro-4-fluorophenyl)propan-1-amine;hydrochloride.
What is the SMILES notation for 3-(2-chloro-4-fluorophenyl)propan-1-amine;hydrochloride?
The canonical SMILES for 3-(2-chloro-4-fluorophenyl)propan-1-amine;hydrochloride is Cl.NCCCc1ccc(F)cc1Cl.
What is the InChIKey of 3-(2-chloro-4-fluorophenyl)propan-1-amine;hydrochloride?
The InChIKey is GYPJWURAEKOCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFN.ClH/c10-9-6-8(11)4-3-7(9)2-1-5-12;/h3-4,6H,1-2,5,12H2;1H.
What are the key properties of 3-(2-chloro-4-fluorophenyl)propan-1-amine;hydrochloride?
3-(2-chloro-4-fluorophenyl)propan-1-amine;hydrochloride has a molecular weight of 224.11 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-fluorophenyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 75366828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).