1-(2-chloro-4-methoxyphenyl)-2-pyrrolidin-3-ylethanamine

C13H19ClN2O — CID 116936145

IUPAC1-(2-chloro-4-methoxyphenyl)-2-pyrrolidin-3-ylethanamine
SMILESCOc1ccc(C(N)CC2CCNC2)c(Cl)c1
InChIInChI=1S/C13H19ClN2O/c1-17-10-2-3-11(12(14)7-10)13(15)6-9-4-5-16-8-9/h2-3,7,9,13,16H,4-6,8,15H2,1H3
InChIKeyCFNDFYJAOJJVCS-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.35
Rot. Bonds4

About 1-(2-chloro-4-methoxyphenyl)-2-pyrrolidin-3-ylethanamine

1-(2-chloro-4-methoxyphenyl)-2-pyrrolidin-3-ylethanamine (PubChem CID 116936145) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 1-(2-chloro-4-methoxyphenyl)-2-pyrrolidin-3-ylethanamine.

Molecular Properties

Compound Name1-(2-chloro-4-methoxyphenyl)-2-pyrrolidin-3-ylethanamine
PubChem CID116936145
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name1-(2-chloro-4-methoxyphenyl)-2-pyrrolidin-3-ylethanamine
SMILESCOc1ccc(C(N)CC2CCNC2)c(Cl)c1
InChIInChI=1S/C13H19ClN2O/c1-17-10-2-3-11(12(14)7-10)13(15)6-9-4-5-16-8-9/h2-3,7,9,13,16H,4-6,8,15H2,1H3
InChIKeyCFNDFYJAOJJVCS-UHFFFAOYSA-N
XLogP2.35
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4-methoxyphenyl)-2-cyclobutylethanamine
CID 103162998
1-(2,4-dimethoxy-3-methylphenyl)-2-pyrrolidin-3-ylethanamine
CID 116936143
2-chloro-4-methoxy-N-(pyrrolidin-3-ylmethyl)aniline
CID 115208589
(2S)-2-amino-2-(2-chloro-4-methoxyphenyl)ethanol
CID 66514098
3-chloro-1-(2-chloro-4-methoxyphenyl)propan-1-amine
CID 116937731
2-chloro-4-methoxy-N-methyl-N-(2-pyrrolidin-3-ylethyl)aniline
CID 115210675
N-[(2-chloro-4-methoxyphenyl)methyl]-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 115208923
3-amino-3-(2-chloro-4-methoxyphenyl)propan-1-ol
CID 82284820
(2-chloro-4-methoxyphenyl)methanediamine
CID 116939187
(3S)-3-[(2S)-2-(3-methoxyphenyl)propyl]pyrrolidine
CID 58422845
(3R)-3-amino-3-(2-chloro-4-methoxyphenyl)propanenitrile
CID 130644013
1-(4-methoxy-2,3-dimethylphenyl)-2-piperidin-4-ylethanamine
CID 116936485

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methoxyphenyl)-2-pyrrolidin-3-ylethanamine?
The IUPAC name of 1-(2-chloro-4-methoxyphenyl)-2-pyrrolidin-3-ylethanamine (CID 116936145) is 1-(2-chloro-4-methoxyphenyl)-2-pyrrolidin-3-ylethanamine.
What is the SMILES notation for 1-(2-chloro-4-methoxyphenyl)-2-pyrrolidin-3-ylethanamine?
The canonical SMILES for 1-(2-chloro-4-methoxyphenyl)-2-pyrrolidin-3-ylethanamine is COc1ccc(C(N)CC2CCNC2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methoxyphenyl)-2-pyrrolidin-3-ylethanamine?
The InChIKey is CFNDFYJAOJJVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-17-10-2-3-11(12(14)7-10)13(15)6-9-4-5-16-8-9/h2-3,7,9,13,16H,4-6,8,15H2,1H3.
What are the key properties of 1-(2-chloro-4-methoxyphenyl)-2-pyrrolidin-3-ylethanamine?
1-(2-chloro-4-methoxyphenyl)-2-pyrrolidin-3-ylethanamine has a molecular weight of 254.76 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methoxyphenyl)-2-pyrrolidin-3-ylethanamine is sourced from PubChem (CID 116936145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).