(3R)-N-(4-chloro-3-methoxyphenyl)pyrrolidin-3-amine

C11H15ClN2O — CID 155923260

IUPAC(3R)-N-(4-chloro-3-methoxyphenyl)pyrrolidin-3-amine
SMILESCOc1cc(N[C@@H]2CCNC2)ccc1Cl
InChIInChI=1S/C11H15ClN2O/c1-15-11-6-8(2-3-10(11)12)14-9-4-5-13-7-9/h2-3,6,9,13-14H,4-5,7H2,1H3/t9-/m1/s1
InChIKeyWXGSQXRZFDGSOP-SECBINFHSA-N
MW226.71 g/mol
LogP2.12
Rot. Bonds3

About (3R)-N-(4-chloro-3-methoxyphenyl)pyrrolidin-3-amine

(3R)-N-(4-chloro-3-methoxyphenyl)pyrrolidin-3-amine (PubChem CID 155923260) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is (3R)-N-(4-chloro-3-methoxyphenyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-N-(4-chloro-3-methoxyphenyl)pyrrolidin-3-amine
PubChem CID155923260
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name(3R)-N-(4-chloro-3-methoxyphenyl)pyrrolidin-3-amine
SMILESCOc1cc(N[C@@H]2CCNC2)ccc1Cl
InChIInChI=1S/C11H15ClN2O/c1-15-11-6-8(2-3-10(11)12)14-9-4-5-13-7-9/h2-3,6,9,13-14H,4-5,7H2,1H3/t9-/m1/s1
InChIKeyWXGSQXRZFDGSOP-SECBINFHSA-N
XLogP2.12
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-3-methoxyphenyl)piperidin-3-amine
CID 107621326
(3R)-N-(4-chloro-3-methoxyphenyl)piperidine-3-carboxamide
CID 107621709
N-(3,5-dimethoxyphenyl)pyrrolidin-3-amine;ethane
CID 176696090
4-chloro-3-methoxy-N-[4-(2-methylbutan-2-yl)cyclohexyl]aniline
CID 107621247
N-(2,4,6-trimethoxyphenyl)pyrrolidin-3-amine
CID 115118637
N-(4-methylphenyl)pyrrolidin-3-amine
CID 68925011
4-(4-chloro-3-methoxyphenyl)-3-methylpiperidine
CID 114502183
2-[2-methoxy-5-(piperidin-4-ylamino)phenoxy]ethanol
CID 54906415
N-(4-chloro-3-methoxyphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 107621556
[2-ethoxy-5-(pyrrolidin-3-ylamino)phenyl]methanol
CID 79730547
(3R)-N-(4-ethyl-3-methylphenyl)pyrrolidin-3-amine
CID 71052306
N-(4-ethylphenyl)pyrrolidin-3-amine
CID 79724567

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-chloro-3-methoxyphenyl)pyrrolidin-3-amine?
The IUPAC name of (3R)-N-(4-chloro-3-methoxyphenyl)pyrrolidin-3-amine (CID 155923260) is (3R)-N-(4-chloro-3-methoxyphenyl)pyrrolidin-3-amine.
What is the SMILES notation for (3R)-N-(4-chloro-3-methoxyphenyl)pyrrolidin-3-amine?
The canonical SMILES for (3R)-N-(4-chloro-3-methoxyphenyl)pyrrolidin-3-amine is COc1cc(N[C@@H]2CCNC2)ccc1Cl.
What is the InChIKey of (3R)-N-(4-chloro-3-methoxyphenyl)pyrrolidin-3-amine?
The InChIKey is WXGSQXRZFDGSOP-SECBINFHSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-15-11-6-8(2-3-10(11)12)14-9-4-5-13-7-9/h2-3,6,9,13-14H,4-5,7H2,1H3/t9-/m1/s1.
What are the key properties of (3R)-N-(4-chloro-3-methoxyphenyl)pyrrolidin-3-amine?
(3R)-N-(4-chloro-3-methoxyphenyl)pyrrolidin-3-amine has a molecular weight of 226.71 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-chloro-3-methoxyphenyl)pyrrolidin-3-amine is sourced from PubChem (CID 155923260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).