[1-[(3,4-dichlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol

C13H17Cl2NO — CID 102788541

IUPAC[1-[(3,4-dichlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(Cc2ccc(Cl)c(Cl)c2)C1CO
InChIInChI=1S/C13H17Cl2NO/c1-9-4-5-16(13(9)8-17)7-10-2-3-11(14)12(15)6-10/h2-3,6,9,13,17H,4-5,7-8H2,1H3
InChIKeyJBPZPTGNPZUPGU-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.20
Rot. Bonds3

About [1-[(3,4-dichlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol

[1-[(3,4-dichlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102788541) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is [1-[(3,4-dichlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(3,4-dichlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
PubChem CID102788541
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name[1-[(3,4-dichlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(Cc2ccc(Cl)c(Cl)c2)C1CO
InChIInChI=1S/C13H17Cl2NO/c1-9-4-5-16(13(9)8-17)7-10-2-3-11(14)12(15)6-10/h2-3,6,9,13,17H,4-5,7-8H2,1H3
InChIKeyJBPZPTGNPZUPGU-UHFFFAOYSA-N
XLogP3.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(bromomethyl)-1-[(3,4-dichlorophenyl)methyl]-3-methylpyrrolidine
CID 102785540
[1-[(3-chlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788253
(1-benzyl-3-methylpyrrolidin-2-yl)methanol
CID 78022490
[3-methyl-1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]methanol
CID 102788811
[1-[(3,6-dichloro-2-pyridinyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102778580
1-[(3,4-dichlorophenyl)methyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102784435
[1-[(5-amino-2-chlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102777868
[1-[(3-amino-4-bromophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102777799
[1-[(3-amino-4-methoxyphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102777626
[1-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788850
[1-[(3-methoxyphenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788535
[1-[(6-chloro-2-pyridinyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102778604

Frequently Asked Questions

What is the IUPAC name of [1-[(3,4-dichlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-[(3,4-dichlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol (CID 102788541) is [1-[(3,4-dichlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[(3,4-dichlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[(3,4-dichlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol is CC1CCN(Cc2ccc(Cl)c(Cl)c2)C1CO.
What is the InChIKey of [1-[(3,4-dichlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is JBPZPTGNPZUPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-9-4-5-16(13(9)8-17)7-10-2-3-11(14)12(15)6-10/h2-3,6,9,13,17H,4-5,7-8H2,1H3.
What are the key properties of [1-[(3,4-dichlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol?
[1-[(3,4-dichlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 274.19 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,4-dichlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102788541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).