(3R)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-amine

C11H15ClN2O — CID 51663668

IUPAC(3R)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-amine
SMILESCOc1ccc(Cl)cc1N1CC[C@@H](N)C1
InChIInChI=1S/C11H15ClN2O/c1-15-11-3-2-8(12)6-10(11)14-5-4-9(13)7-14/h2-3,6,9H,4-5,7,13H2,1H3/t9-/m1/s1
InChIKeySCFKNHKMXXEBQR-SECBINFHSA-N
MW226.71 g/mol
LogP1.89
Rot. Bonds2

About (3R)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-amine

(3R)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-amine (PubChem CID 51663668) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is (3R)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-amine
PubChem CID51663668
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name(3R)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-amine
SMILESCOc1ccc(Cl)cc1N1CC[C@@H](N)C1
InChIInChI=1S/C11H15ClN2O/c1-15-11-3-2-8(12)6-10(11)14-5-4-9(13)7-14/h2-3,6,9H,4-5,7,13H2,1H3/t9-/m1/s1
InChIKeySCFKNHKMXXEBQR-SECBINFHSA-N
XLogP1.89
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-methoxyphenyl)pyrrolidin-3-amine
CID 60860962
1-(5-chloro-2-methoxyphenyl)pyrrolidine
CID 82538228
2-(5-chloro-2-methoxyphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929968
1-(5-chloro-2-methoxyphenyl)-N-methylazetidin-3-amine
CID 117002920
8-(5-chloro-2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 55106709
2-amino-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]acetamide;dihydrochloride
CID 119873204
2-(3-aminopyrrolidin-1-yl)-5-chlorobenzonitrile
CID 62494377
trans-(1S,2S)-2-amino-N-[(3S)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
CID 125147471
N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-2-(cyclopropylmethylamino)acetamide
CID 119873197
3-amino-N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]butanamide
CID 119873215
N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-1-hydroxycyclopentane-1-carboxamide
CID 110922757
3-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-1,1,2-trimethylguanidine;hydroiodide
CID 111917398

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-amine?
The IUPAC name of (3R)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-amine (CID 51663668) is (3R)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-amine is COc1ccc(Cl)cc1N1CC[C@@H](N)C1.
What is the InChIKey of (3R)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-amine?
The InChIKey is SCFKNHKMXXEBQR-SECBINFHSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-15-11-3-2-8(12)6-10(11)14-5-4-9(13)7-14/h2-3,6,9H,4-5,7,13H2,1H3/t9-/m1/s1.
What are the key properties of (3R)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-amine?
(3R)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-amine has a molecular weight of 226.71 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-amine is sourced from PubChem (CID 51663668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).