(1R)-1-(6-chloro-2-fluoro-3-methylphenyl)-2-cyclopropylethanamine

C12H15ClFN — CID 131293734

IUPAC(1R)-1-(6-chloro-2-fluoro-3-methylphenyl)-2-cyclopropylethanamine
SMILESCc1ccc(Cl)c([C@H](N)CC2CC2)c1F
InChIInChI=1S/C12H15ClFN/c1-7-2-5-9(13)11(12(7)14)10(15)6-8-3-4-8/h2,5,8,10H,3-4,6,15H2,1H3/t10-/m1/s1
InChIKeyIPSZBDUNJZNVBW-SNVBAGLBSA-N
MW227.71 g/mol
LogP3.59
Rot. Bonds3

About (1R)-1-(6-chloro-2-fluoro-3-methylphenyl)-2-cyclopropylethanamine

(1R)-1-(6-chloro-2-fluoro-3-methylphenyl)-2-cyclopropylethanamine (PubChem CID 131293734) has the molecular formula C12H15ClFN and a molecular weight of 227.71 g/mol. Its IUPAC name is (1R)-1-(6-chloro-2-fluoro-3-methylphenyl)-2-cyclopropylethanamine.

Molecular Properties

Compound Name(1R)-1-(6-chloro-2-fluoro-3-methylphenyl)-2-cyclopropylethanamine
PubChem CID131293734
Molecular FormulaC12H15ClFN
Molecular Weight227.71 g/mol
Exact Mass227.09
IUPAC Name(1R)-1-(6-chloro-2-fluoro-3-methylphenyl)-2-cyclopropylethanamine
SMILESCc1ccc(Cl)c([C@H](N)CC2CC2)c1F
InChIInChI=1S/C12H15ClFN/c1-7-2-5-9(13)11(12(7)14)10(15)6-8-3-4-8/h2,5,8,10H,3-4,6,15H2,1H3/t10-/m1/s1
InChIKeyIPSZBDUNJZNVBW-SNVBAGLBSA-N
XLogP3.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.71
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(2-chloro-6-methylphenyl)-2-cyclopropylethanamine
CID 131212960
2-cyclopropyl-1-(2,6-dichlorophenyl)ethanamine
CID 112693518
(1R)-2-cyclopropyl-1-(2,3-difluoro-4-methylphenyl)ethanamine
CID 131568971
(1R)-1-(6-chloro-2-fluoro-3-methylphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171209149
2-[(1S)-1-amino-2-cyclopropylethyl]-6-chloro-3-fluorophenol
CID 131417981
(S)-(6-chloro-2-fluoro-3-methylphenyl)-cyclohexylmethanamine;hydrochloride
CID 171228747
(1R)-1-(2-chloro-6-iodophenyl)-2-cyclopropylethanamine
CID 130658234
2-[(1R)-1-amino-2-cyclopropylethyl]-3-fluoro-6-methylphenol;hydrochloride
CID 171257318
2-[(1R)-1-amino-2-cyclopropylethyl]-6-chloro-3-fluorophenol;hydrochloride
CID 171259217
2-[(1S)-1-amino-2-cyclopropylethyl]-6-fluoro-3-methylphenol;hydrochloride
CID 171253554
(1R)-1-(6-chloro-2-fluoro-3-methylphenyl)pentan-1-amine;hydrochloride
CID 171209145
2-[(1R)-1-amino-2-cyclopropylethyl]-6-bromo-3-chlorophenol
CID 131332411

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(6-chloro-2-fluoro-3-methylphenyl)-2-cyclopropylethanamine?
The IUPAC name of (1R)-1-(6-chloro-2-fluoro-3-methylphenyl)-2-cyclopropylethanamine (CID 131293734) is (1R)-1-(6-chloro-2-fluoro-3-methylphenyl)-2-cyclopropylethanamine.
What is the SMILES notation for (1R)-1-(6-chloro-2-fluoro-3-methylphenyl)-2-cyclopropylethanamine?
The canonical SMILES for (1R)-1-(6-chloro-2-fluoro-3-methylphenyl)-2-cyclopropylethanamine is Cc1ccc(Cl)c([C@H](N)CC2CC2)c1F.
What is the InChIKey of (1R)-1-(6-chloro-2-fluoro-3-methylphenyl)-2-cyclopropylethanamine?
The InChIKey is IPSZBDUNJZNVBW-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15ClFN/c1-7-2-5-9(13)11(12(7)14)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)-1-(6-chloro-2-fluoro-3-methylphenyl)-2-cyclopropylethanamine?
(1R)-1-(6-chloro-2-fluoro-3-methylphenyl)-2-cyclopropylethanamine has a molecular weight of 227.71 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(6-chloro-2-fluoro-3-methylphenyl)-2-cyclopropylethanamine is sourced from PubChem (CID 131293734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).