(R)-(3-fluoro-4-methoxyphenyl)-[(2S)-pyrrolidin-2-yl]methanamine

C12H17FN2O — CID 95446450

IUPAC(R)-(3-fluoro-4-methoxyphenyl)-[(2S)-pyrrolidin-2-yl]methanamine
SMILESCOc1ccc([C@@H](N)[C@@H]2CCCN2)cc1F
InChIInChI=1S/C12H17FN2O/c1-16-11-5-4-8(7-9(11)13)12(14)10-3-2-6-15-10/h4-5,7,10,12,15H,2-3,6,14H2,1H3/t10-,12+/m0/s1
InChIKeyNJNYEYUGBOCVCX-CMPLNLGQSA-N
MW224.28 g/mol
LogP1.59
Rot. Bonds3

About (R)-(3-fluoro-4-methoxyphenyl)-[(2S)-pyrrolidin-2-yl]methanamine

(R)-(3-fluoro-4-methoxyphenyl)-[(2S)-pyrrolidin-2-yl]methanamine (PubChem CID 95446450) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is (R)-(3-fluoro-4-methoxyphenyl)-[(2S)-pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name(R)-(3-fluoro-4-methoxyphenyl)-[(2S)-pyrrolidin-2-yl]methanamine
PubChem CID95446450
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name(R)-(3-fluoro-4-methoxyphenyl)-[(2S)-pyrrolidin-2-yl]methanamine
SMILESCOc1ccc([C@@H](N)[C@@H]2CCCN2)cc1F
InChIInChI=1S/C12H17FN2O/c1-16-11-5-4-8(7-9(11)13)12(14)10-3-2-6-15-10/h4-5,7,10,12,15H,2-3,6,14H2,1H3/t10-,12+/m0/s1
InChIKeyNJNYEYUGBOCVCX-CMPLNLGQSA-N
XLogP1.59
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluoro-3-methylphenyl)-piperidin-2-ylmethanamine
CID 116935640
(2,5-dimethoxyphenyl)-pyrrolidin-2-ylmethanamine
CID 82291674
(2-methoxyphenyl)-pyrrolidin-2-ylmethanamine
CID 82283349
(3-fluoro-4-methoxyphenyl)-(oxan-4-yl)methanamine
CID 62906702
(3-fluoro-4-methoxyphenyl)-(oxan-2-yl)methanamine
CID 62215307
(4-fluorophenyl)-piperidin-2-ylmethanamine
CID 116935636
2-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]pyrrolidine
CID 104703736
(1R,2S)-2-amino-1-cyclobutyl-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 171161939
(1R,2S)-2-amino-1-cyclopentyl-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 171161937
(2R)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 103794212
(3-fluoro-4-methoxyphenyl)-(1-methylpiperazin-2-yl)methanamine
CID 116941250
(3-ethylcyclohexyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 65414540

Frequently Asked Questions

What is the IUPAC name of (R)-(3-fluoro-4-methoxyphenyl)-[(2S)-pyrrolidin-2-yl]methanamine?
The IUPAC name of (R)-(3-fluoro-4-methoxyphenyl)-[(2S)-pyrrolidin-2-yl]methanamine (CID 95446450) is (R)-(3-fluoro-4-methoxyphenyl)-[(2S)-pyrrolidin-2-yl]methanamine.
What is the SMILES notation for (R)-(3-fluoro-4-methoxyphenyl)-[(2S)-pyrrolidin-2-yl]methanamine?
The canonical SMILES for (R)-(3-fluoro-4-methoxyphenyl)-[(2S)-pyrrolidin-2-yl]methanamine is COc1ccc([C@@H](N)[C@@H]2CCCN2)cc1F.
What is the InChIKey of (R)-(3-fluoro-4-methoxyphenyl)-[(2S)-pyrrolidin-2-yl]methanamine?
The InChIKey is NJNYEYUGBOCVCX-CMPLNLGQSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-16-11-5-4-8(7-9(11)13)12(14)10-3-2-6-15-10/h4-5,7,10,12,15H,2-3,6,14H2,1H3/t10-,12+/m0/s1.
What are the key properties of (R)-(3-fluoro-4-methoxyphenyl)-[(2S)-pyrrolidin-2-yl]methanamine?
(R)-(3-fluoro-4-methoxyphenyl)-[(2S)-pyrrolidin-2-yl]methanamine has a molecular weight of 224.28 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(3-fluoro-4-methoxyphenyl)-[(2S)-pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 95446450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).