1-[(2-chloro-3-methoxyphenyl)methyl]pyrrolidin-3-ol;hydrochloride

C12H17Cl2NO2 — CID 131703576

IUPAC1-[(2-chloro-3-methoxyphenyl)methyl]pyrrolidin-3-ol;hydrochloride
SMILESCOc1cccc(CN2CCC(O)C2)c1Cl.Cl
InChIInChI=1S/C12H16ClNO2.ClH/c1-16-11-4-2-3-9(12(11)13)7-14-6-5-10(15)8-14;/h2-4,10,15H,5-8H2,1H3;1H
InChIKeyYFNZQBXZJRKMSN-UHFFFAOYSA-N
MW278.18 g/mol
LogP2.34
Rot. Bonds3

About 1-[(2-chloro-3-methoxyphenyl)methyl]pyrrolidin-3-ol;hydrochloride

1-[(2-chloro-3-methoxyphenyl)methyl]pyrrolidin-3-ol;hydrochloride (PubChem CID 131703576) has the molecular formula C12H17Cl2NO2 and a molecular weight of 278.18 g/mol. Its IUPAC name is 1-[(2-chloro-3-methoxyphenyl)methyl]pyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name1-[(2-chloro-3-methoxyphenyl)methyl]pyrrolidin-3-ol;hydrochloride
PubChem CID131703576
Molecular FormulaC12H17Cl2NO2
Molecular Weight278.18 g/mol
Exact Mass277.06
IUPAC Name1-[(2-chloro-3-methoxyphenyl)methyl]pyrrolidin-3-ol;hydrochloride
SMILESCOc1cccc(CN2CCC(O)C2)c1Cl.Cl
InChIInChI=1S/C12H16ClNO2.ClH/c1-16-11-4-2-3-9(12(11)13)7-14-6-5-10(15)8-14;/h2-4,10,15H,5-8H2,1H3;1H
InChIKeyYFNZQBXZJRKMSN-UHFFFAOYSA-N
XLogP2.34
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 24904459
1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 62917327
(3S)-1-[(3-chloro-2-methylphenyl)methyl]pyrrolidin-3-ol
CID 93478443
(3S)-1-[(2-butoxyphenyl)methyl]pyrrolidin-3-ol
CID 86795938
(3R)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-ol
CID 10823187
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 63365148
1-[(2-chloro-3-pyridinyl)methyl]pyrrolidin-3-ol
CID 62916132
1-[(2,6-dimethylphenyl)methyl]pyrrolidin-3-ol
CID 115532407
(3R)-1-[[2-(3-chlorophenyl)-5,8-dimethoxyquinolin-3-yl]methyl]pyrrolidin-3-ol
CID 70778486
1-[(3-amino-4-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 62942602
(3R)-1-[(2-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 103882000
(3S)-1-[(2,3-dichlorophenyl)methyl]-3-(methoxymethyl)pyrrolidine
CID 99930436

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-3-methoxyphenyl)methyl]pyrrolidin-3-ol;hydrochloride?
The IUPAC name of 1-[(2-chloro-3-methoxyphenyl)methyl]pyrrolidin-3-ol;hydrochloride (CID 131703576) is 1-[(2-chloro-3-methoxyphenyl)methyl]pyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 1-[(2-chloro-3-methoxyphenyl)methyl]pyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 1-[(2-chloro-3-methoxyphenyl)methyl]pyrrolidin-3-ol;hydrochloride is COc1cccc(CN2CCC(O)C2)c1Cl.Cl.
What is the InChIKey of 1-[(2-chloro-3-methoxyphenyl)methyl]pyrrolidin-3-ol;hydrochloride?
The InChIKey is YFNZQBXZJRKMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2.ClH/c1-16-11-4-2-3-9(12(11)13)7-14-6-5-10(15)8-14;/h2-4,10,15H,5-8H2,1H3;1H.
What are the key properties of 1-[(2-chloro-3-methoxyphenyl)methyl]pyrrolidin-3-ol;hydrochloride?
1-[(2-chloro-3-methoxyphenyl)methyl]pyrrolidin-3-ol;hydrochloride has a molecular weight of 278.18 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-3-methoxyphenyl)methyl]pyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 131703576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).