3-[(5-chloro-2-methoxyphenyl)methyl]-1-methylpyrrolidin-3-ol

C13H18ClNO2 — CID 65147101

IUPAC3-[(5-chloro-2-methoxyphenyl)methyl]-1-methylpyrrolidin-3-ol
SMILESCOc1ccc(Cl)cc1CC1(O)CCN(C)C1
InChIInChI=1S/C13H18ClNO2/c1-15-6-5-13(16,9-15)8-10-7-11(14)3-4-12(10)17-2/h3-4,7,16H,5-6,8-9H2,1-2H3
InChIKeyIUROHKVYXABJCD-UHFFFAOYSA-N
MW255.74 g/mol
LogP1.96
Rot. Bonds3

About 3-[(5-chloro-2-methoxyphenyl)methyl]-1-methylpyrrolidin-3-ol

3-[(5-chloro-2-methoxyphenyl)methyl]-1-methylpyrrolidin-3-ol (PubChem CID 65147101) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 3-[(5-chloro-2-methoxyphenyl)methyl]-1-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-[(5-chloro-2-methoxyphenyl)methyl]-1-methylpyrrolidin-3-ol
PubChem CID65147101
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name3-[(5-chloro-2-methoxyphenyl)methyl]-1-methylpyrrolidin-3-ol
SMILESCOc1ccc(Cl)cc1CC1(O)CCN(C)C1
InChIInChI=1S/C13H18ClNO2/c1-15-6-5-13(16,9-15)8-10-7-11(14)3-4-12(10)17-2/h3-4,7,16H,5-6,8-9H2,1-2H3
InChIKeyIUROHKVYXABJCD-UHFFFAOYSA-N
XLogP1.96
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-chloro-2-methoxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 65146901
3-[(2-methoxy-5-methylphenyl)methyl]-1-methylpyrrolidin-3-ol
CID 55140625
1-[(5-chloro-2-methoxyphenyl)methyl]-3-methoxycyclobutan-1-ol
CID 106823676
3-[(4-chloro-2-fluorophenyl)methyl]-1-methylpiperidin-3-ol
CID 114852550
4-chloro-2-[[1-(chloromethyl)cyclopropyl]methyl]-1-methoxybenzene
CID 66034885
3-[(2-bromo-5-methoxyphenyl)methyl]-1-methylpyrrolidin-3-ol
CID 65327604
4-[(4-chloro-2-fluorophenyl)methyl]-1-methylazepan-4-ol
CID 114852273
4-[(5-chloro-2-methoxyphenyl)methyl]-2-ethyloxan-4-ol
CID 65148883
1-[(5-chloro-2-methoxyphenyl)methyl]-2-methylcyclopentan-1-ol
CID 65154299
1-[(5-chloro-2-methoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-ol
CID 65153588
3-[(2,6-dichlorophenyl)methyl]-1-methylpyrrolidin-3-ol
CID 65146298
1-ethyl-4-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-ol
CID 62161513

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-methoxyphenyl)methyl]-1-methylpyrrolidin-3-ol?
The IUPAC name of 3-[(5-chloro-2-methoxyphenyl)methyl]-1-methylpyrrolidin-3-ol (CID 65147101) is 3-[(5-chloro-2-methoxyphenyl)methyl]-1-methylpyrrolidin-3-ol.
What is the SMILES notation for 3-[(5-chloro-2-methoxyphenyl)methyl]-1-methylpyrrolidin-3-ol?
The canonical SMILES for 3-[(5-chloro-2-methoxyphenyl)methyl]-1-methylpyrrolidin-3-ol is COc1ccc(Cl)cc1CC1(O)CCN(C)C1.
What is the InChIKey of 3-[(5-chloro-2-methoxyphenyl)methyl]-1-methylpyrrolidin-3-ol?
The InChIKey is IUROHKVYXABJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-15-6-5-13(16,9-15)8-10-7-11(14)3-4-12(10)17-2/h3-4,7,16H,5-6,8-9H2,1-2H3.
What are the key properties of 3-[(5-chloro-2-methoxyphenyl)methyl]-1-methylpyrrolidin-3-ol?
3-[(5-chloro-2-methoxyphenyl)methyl]-1-methylpyrrolidin-3-ol has a molecular weight of 255.74 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-methoxyphenyl)methyl]-1-methylpyrrolidin-3-ol is sourced from PubChem (CID 65147101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).