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

C12H15ClFN — CID 176776827

IUPAC3-(4-chloro-2-fluorophenyl)-2-cyclopropylpropan-1-amine
SMILESNCC(Cc1ccc(Cl)cc1F)C1CC1
InChIInChI=1S/C12H15ClFN/c13-11-4-3-9(12(14)6-11)5-10(7-15)8-1-2-8/h3-4,6,8,10H,1-2,5,7,15H2
InChIKeyWKQZBFPRTSWRRR-UHFFFAOYSA-N
MW227.71 g/mol
LogP3.01
Rot. Bonds4

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

3-(4-chloro-2-fluorophenyl)-2-cyclopropylpropan-1-amine (PubChem CID 176776827) has the molecular formula C12H15ClFN and a molecular weight of 227.71 g/mol. Its IUPAC name is 3-(4-chloro-2-fluorophenyl)-2-cyclopropylpropan-1-amine.

Molecular Properties

Compound Name3-(4-chloro-2-fluorophenyl)-2-cyclopropylpropan-1-amine
PubChem CID176776827
Molecular FormulaC12H15ClFN
Molecular Weight227.71 g/mol
Exact Mass227.09
IUPAC Name3-(4-chloro-2-fluorophenyl)-2-cyclopropylpropan-1-amine
SMILESNCC(Cc1ccc(Cl)cc1F)C1CC1
InChIInChI=1S/C12H15ClFN/c13-11-4-3-9(12(14)6-11)5-10(7-15)8-1-2-8/h3-4,6,8,10H,1-2,5,7,15H2
InChIKeyWKQZBFPRTSWRRR-UHFFFAOYSA-N
XLogP3.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.71
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-cyclopropyl-3-(4-fluorophenyl)propan-1-amine
CID 82075851
N-[2-(4-chloro-2-fluorophenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 114855459
4-amino-1-(4-chloro-2-fluorophenyl)-4-cyclopropylbutan-2-one
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[2-(4-chloro-2-fluorophenyl)-1-phenylethyl]hydrazine
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1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanamine
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CID 62602404

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-fluorophenyl)-2-cyclopropylpropan-1-amine?
The IUPAC name of 3-(4-chloro-2-fluorophenyl)-2-cyclopropylpropan-1-amine (CID 176776827) is 3-(4-chloro-2-fluorophenyl)-2-cyclopropylpropan-1-amine.
What is the SMILES notation for 3-(4-chloro-2-fluorophenyl)-2-cyclopropylpropan-1-amine?
The canonical SMILES for 3-(4-chloro-2-fluorophenyl)-2-cyclopropylpropan-1-amine is NCC(Cc1ccc(Cl)cc1F)C1CC1.
What is the InChIKey of 3-(4-chloro-2-fluorophenyl)-2-cyclopropylpropan-1-amine?
The InChIKey is WKQZBFPRTSWRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN/c13-11-4-3-9(12(14)6-11)5-10(7-15)8-1-2-8/h3-4,6,8,10H,1-2,5,7,15H2.
What are the key properties of 3-(4-chloro-2-fluorophenyl)-2-cyclopropylpropan-1-amine?
3-(4-chloro-2-fluorophenyl)-2-cyclopropylpropan-1-amine has a molecular weight of 227.71 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-fluorophenyl)-2-cyclopropylpropan-1-amine is sourced from PubChem (CID 176776827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).