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

C12H15ClFN — CID 104995027

IUPAC1-(2-chloro-3-fluorophenyl)-3-cyclopropylpropan-1-amine
SMILESNC(CCC1CC1)c1cccc(F)c1Cl
InChIInChI=1S/C12H15ClFN/c13-12-9(2-1-3-10(12)14)11(15)7-6-8-4-5-8/h1-3,8,11H,4-7,15H2
InChIKeyJCYXIUGHFULUSF-UHFFFAOYSA-N
MW227.71 g/mol
LogP3.67
Rot. Bonds4

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

1-(2-chloro-3-fluorophenyl)-3-cyclopropylpropan-1-amine (PubChem CID 104995027) has the molecular formula C12H15ClFN and a molecular weight of 227.71 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)-3-cyclopropylpropan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)-3-cyclopropylpropan-1-amine
PubChem CID104995027
Molecular FormulaC12H15ClFN
Molecular Weight227.71 g/mol
Exact Mass227.09
IUPAC Name1-(2-chloro-3-fluorophenyl)-3-cyclopropylpropan-1-amine
SMILESNC(CCC1CC1)c1cccc(F)c1Cl
InChIInChI=1S/C12H15ClFN/c13-12-9(2-1-3-10(12)14)11(15)7-6-8-4-5-8/h1-3,8,11H,4-7,15H2
InChIKeyJCYXIUGHFULUSF-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
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-chloro-3-fluorophenyl)-3-phenylpropan-1-amine
CID 54088425
(1S)-1-(2-chloro-3-fluorophenyl)hexan-1-amine
CID 171222601
1-(5-chloro-2-fluorophenyl)-3-cyclohexylpropan-1-amine
CID 114192287
(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
(1S)-1-(2-chloro-3-fluorophenyl)but-3-en-1-amine
CID 55272952
1-(2-bromo-3-fluorophenyl)-3-cyclopropylpropan-1-ol
CID 115810729
3-cyclopropyl-1-(2,3-difluorophenyl)propan-1-ol
CID 115810816
(1S)-2-cyclopropyl-1-(2,3-difluorophenyl)ethanamine
CID 131113466
(1R)-2-cyclopropyl-1-(2,3-dichlorophenyl)ethanamine
CID 130971374
1-(2-chloro-3-fluorophenyl)pent-3-yn-1-amine
CID 115819719

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorophenyl)-3-cyclopropylpropan-1-amine?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)-3-cyclopropylpropan-1-amine (CID 104995027) is 1-(2-chloro-3-fluorophenyl)-3-cyclopropylpropan-1-amine.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)-3-cyclopropylpropan-1-amine?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)-3-cyclopropylpropan-1-amine is NC(CCC1CC1)c1cccc(F)c1Cl.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)-3-cyclopropylpropan-1-amine?
The InChIKey is JCYXIUGHFULUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN/c13-12-9(2-1-3-10(12)14)11(15)7-6-8-4-5-8/h1-3,8,11H,4-7,15H2.
What are the key properties of 1-(2-chloro-3-fluorophenyl)-3-cyclopropylpropan-1-amine?
1-(2-chloro-3-fluorophenyl)-3-cyclopropylpropan-1-amine has a molecular weight of 227.71 g/mol, XLogP of 3.67, 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-cyclopropylpropan-1-amine is sourced from PubChem (CID 104995027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).