(R)-cyclopropyl-(3-fluoro-2-methoxyphenyl)methanamine;hydrochloride

C11H15ClFNO — CID 171201747

IUPAC(R)-cyclopropyl-(3-fluoro-2-methoxyphenyl)methanamine;hydrochloride
SMILESCOc1c(F)cccc1[C@H](N)C1CC1.Cl
InChIInChI=1S/C11H14FNO.ClH/c1-14-11-8(3-2-4-9(11)12)10(13)7-5-6-7;/h2-4,7,10H,5-6,13H2,1H3;1H/t10-;/m1./s1
InChIKeyAOSLKIMRUAKWHG-HNCPQSOCSA-N
MW231.70 g/mol
LogP2.67
Rot. Bonds3

About (R)-cyclopropyl-(3-fluoro-2-methoxyphenyl)methanamine;hydrochloride

(R)-cyclopropyl-(3-fluoro-2-methoxyphenyl)methanamine;hydrochloride (PubChem CID 171201747) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is (R)-cyclopropyl-(3-fluoro-2-methoxyphenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(R)-cyclopropyl-(3-fluoro-2-methoxyphenyl)methanamine;hydrochloride
PubChem CID171201747
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name(R)-cyclopropyl-(3-fluoro-2-methoxyphenyl)methanamine;hydrochloride
SMILESCOc1c(F)cccc1[C@H](N)C1CC1.Cl
InChIInChI=1S/C11H14FNO.ClH/c1-14-11-8(3-2-4-9(11)12)10(13)7-5-6-7;/h2-4,7,10H,5-6,13H2,1H3;1H/t10-;/m1./s1
InChIKeyAOSLKIMRUAKWHG-HNCPQSOCSA-N
XLogP2.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-cyclopropyl-(3-fluoro-2-methoxyphenyl)methanamine
CID 131184271
(S)-cyclopentyl-(3-fluoro-2-methoxyphenyl)methanamine
CID 131440306
(3-fluoro-2-methoxyphenyl)-(oxan-4-yl)methanamine
CID 83824709
(1S,2R)-2-amino-1-cyclopentyl-2-(3-fluoro-2-methoxyphenyl)ethanol;hydrochloride
CID 171261508
(S)-cyclobutyl-(2,3-dimethoxyphenyl)methanamine;hydrochloride
CID 171218784
(S)-cyclopentyl-(2,3-dimethoxyphenyl)methanamine;hydrochloride
CID 171218788
(2R)-2-amino-2-(3-fluoro-2-methoxyphenyl)ethanol;hydrochloride
CID 121235718
cyclopropyl-(2-fluoro-6-methoxyphenyl)methanamine
CID 55269614
(R)-cyclopropyl-(2-methoxyphenyl)methanamine
CID 45072420
(1R)-1-(3-fluoro-2-methoxyphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171201759
(1R,2R)-2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-ol
CID 96760175
(1S)-3-fluoro-1-(3-fluoro-2-methoxyphenyl)propan-1-amine
CID 171221280

Frequently Asked Questions

What is the IUPAC name of (R)-cyclopropyl-(3-fluoro-2-methoxyphenyl)methanamine;hydrochloride?
The IUPAC name of (R)-cyclopropyl-(3-fluoro-2-methoxyphenyl)methanamine;hydrochloride (CID 171201747) is (R)-cyclopropyl-(3-fluoro-2-methoxyphenyl)methanamine;hydrochloride.
What is the SMILES notation for (R)-cyclopropyl-(3-fluoro-2-methoxyphenyl)methanamine;hydrochloride?
The canonical SMILES for (R)-cyclopropyl-(3-fluoro-2-methoxyphenyl)methanamine;hydrochloride is COc1c(F)cccc1[C@H](N)C1CC1.Cl.
What is the InChIKey of (R)-cyclopropyl-(3-fluoro-2-methoxyphenyl)methanamine;hydrochloride?
The InChIKey is AOSLKIMRUAKWHG-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H14FNO.ClH/c1-14-11-8(3-2-4-9(11)12)10(13)7-5-6-7;/h2-4,7,10H,5-6,13H2,1H3;1H/t10-;/m1./s1.
What are the key properties of (R)-cyclopropyl-(3-fluoro-2-methoxyphenyl)methanamine;hydrochloride?
(R)-cyclopropyl-(3-fluoro-2-methoxyphenyl)methanamine;hydrochloride has a molecular weight of 231.70 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-cyclopropyl-(3-fluoro-2-methoxyphenyl)methanamine;hydrochloride is sourced from PubChem (CID 171201747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).