[2-[(2-chloro-4-methylphenyl)methyl]pyrrolidin-2-yl]methanol

C13H18ClNO — CID 106870628

IUPAC[2-[(2-chloro-4-methylphenyl)methyl]pyrrolidin-2-yl]methanol
SMILESCc1ccc(CC2(CO)CCCN2)c(Cl)c1
InChIInChI=1S/C13H18ClNO/c1-10-3-4-11(12(14)7-10)8-13(9-16)5-2-6-15-13/h3-4,7,15-16H,2,5-6,8-9H2,1H3
InChIKeyDRTPYNHCECXJAC-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.31
Rot. Bonds3

About [2-[(2-chloro-4-methylphenyl)methyl]pyrrolidin-2-yl]methanol

[2-[(2-chloro-4-methylphenyl)methyl]pyrrolidin-2-yl]methanol (PubChem CID 106870628) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is [2-[(2-chloro-4-methylphenyl)methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[2-[(2-chloro-4-methylphenyl)methyl]pyrrolidin-2-yl]methanol
PubChem CID106870628
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name[2-[(2-chloro-4-methylphenyl)methyl]pyrrolidin-2-yl]methanol
SMILESCc1ccc(CC2(CO)CCCN2)c(Cl)c1
InChIInChI=1S/C13H18ClNO/c1-10-3-4-11(12(14)7-10)8-13(9-16)5-2-6-15-13/h3-4,7,15-16H,2,5-6,8-9H2,1H3
InChIKeyDRTPYNHCECXJAC-UHFFFAOYSA-N
XLogP2.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 83080326
2-[(2-chloro-4-methylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 106865468
[1-[(2-chloro-4-methylphenyl)methyl]cyclopentyl]methanol
CID 106870584
[2-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 83079886
1-[(2-chloro-4-methylphenyl)methyl]cyclopentan-1-ol
CID 106866034
2-[(2-chloro-4-methylphenyl)methyl]-2-cyclopropylazepane
CID 106868498
[2-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 107895007
4-[(2-chloro-4-methylphenyl)methyl]-4-fluoroazepane
CID 106871135
1-[(2-chloro-4-methylphenyl)methyl]cyclobutan-1-amine
CID 106870484
1-[(2-chloro-4-methylphenyl)methyl]cyclopropane-1-carboxylic acid
CID 106865439
[3-[(2-chloro-4-methylphenyl)methyl]oxolan-3-yl]methanol
CID 106870599
2-[(2-bromo-4-methylphenyl)methyl]-2-(2-methylpropyl)pyrrolidine
CID 104688440

Frequently Asked Questions

What is the IUPAC name of [2-[(2-chloro-4-methylphenyl)methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [2-[(2-chloro-4-methylphenyl)methyl]pyrrolidin-2-yl]methanol (CID 106870628) is [2-[(2-chloro-4-methylphenyl)methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [2-[(2-chloro-4-methylphenyl)methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [2-[(2-chloro-4-methylphenyl)methyl]pyrrolidin-2-yl]methanol is Cc1ccc(CC2(CO)CCCN2)c(Cl)c1.
What is the InChIKey of [2-[(2-chloro-4-methylphenyl)methyl]pyrrolidin-2-yl]methanol?
The InChIKey is DRTPYNHCECXJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-10-3-4-11(12(14)7-10)8-13(9-16)5-2-6-15-13/h3-4,7,15-16H,2,5-6,8-9H2,1H3.
What are the key properties of [2-[(2-chloro-4-methylphenyl)methyl]pyrrolidin-2-yl]methanol?
[2-[(2-chloro-4-methylphenyl)methyl]pyrrolidin-2-yl]methanol has a molecular weight of 239.75 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chloro-4-methylphenyl)methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 106870628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).