(1R)-2-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)ethanamine

C12H15F2N — CID 131568971

IUPAC(1R)-2-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)ethanamine
SMILESCc1ccc([C@H](N)CC2CC2)c(F)c1F
InChIInChI=1S/C12H15F2N/c1-7-2-5-9(12(14)11(7)13)10(15)6-8-3-4-8/h2,5,8,10H,3-4,6,15H2,1H3/t10-/m1/s1
InChIKeyKKUWEOIQEBGCAT-SNVBAGLBSA-N
MW211.25 g/mol
LogP3.07
Rot. Bonds3

About (1R)-2-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)ethanamine

(1R)-2-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)ethanamine (PubChem CID 131568971) has the molecular formula C12H15F2N and a molecular weight of 211.25 g/mol. Its IUPAC name is (1R)-2-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-2-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)ethanamine
PubChem CID131568971
Molecular FormulaC12H15F2N
Molecular Weight211.25 g/mol
Exact Mass211.12
IUPAC Name(1R)-2-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)ethanamine
SMILESCc1ccc([C@H](N)CC2CC2)c(F)c1F
InChIInChI=1S/C12H15F2N/c1-7-2-5-9(12(14)11(7)13)10(15)6-8-3-4-8/h2,5,8,10H,3-4,6,15H2,1H3/t10-/m1/s1
InChIKeyKKUWEOIQEBGCAT-SNVBAGLBSA-N
XLogP3.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclohexyl-1-(2,3-difluoro-4-methylphenyl)ethanamine
CID 107515963
2-cyclopropyl-1-(2,3,4-trifluorophenyl)ethanamine
CID 79016147
(1S)-1-(2,3-difluoro-4-methylphenyl)-3,3-difluoropropan-1-amine
CID 131304116
(1S)-2-cyclopropyl-1-(2,3-difluorophenyl)ethanamine
CID 131113466
(1R)-2-cyclopropyl-1-(4-methylnaphthalen-1-yl)ethanamine;hydrochloride
CID 171208948
2-cyclopropyl-1-(6-fluoro-2-methyl-3-pyridinyl)ethanamine
CID 55296025
(1R)-1-(6-chloro-2-fluoro-3-methylphenyl)-2-cyclopropylethanamine
CID 131293734
(1R)-1-(2,3-difluoro-4-methylphenyl)propane-1,3-diamine
CID 131057437
(1S)-1-(4-chloro-2-methylphenyl)-2-cyclopropylethanamine
CID 131029260
2-cyclopropyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 55297664
(1S)-1-(5-bromo-2-methylphenyl)-2-cyclopropylethanamine;hydrochloride
CID 171223427
2-piperidin-4-yl-1-(2,3,4-trimethylphenyl)ethanamine
CID 116936522

Frequently Asked Questions

What is the IUPAC name of (1R)-2-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)ethanamine?
The IUPAC name of (1R)-2-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)ethanamine (CID 131568971) is (1R)-2-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)ethanamine.
What is the SMILES notation for (1R)-2-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)ethanamine?
The canonical SMILES for (1R)-2-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)ethanamine is Cc1ccc([C@H](N)CC2CC2)c(F)c1F.
What is the InChIKey of (1R)-2-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)ethanamine?
The InChIKey is KKUWEOIQEBGCAT-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15F2N/c1-7-2-5-9(12(14)11(7)13)10(15)6-8-3-4-8/h2,5,8,10H,3-4,6,15H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-2-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)ethanamine?
(1R)-2-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)ethanamine has a molecular weight of 211.25 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)ethanamine is sourced from PubChem (CID 131568971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).