[1-[(3-chlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol

C13H18ClNO — CID 102788253

IUPAC[1-[(3-chlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(Cc2cccc(Cl)c2)C1CO
InChIInChI=1S/C13H18ClNO/c1-10-5-6-15(13(10)9-16)8-11-3-2-4-12(14)7-11/h2-4,7,10,13,16H,5-6,8-9H2,1H3
InChIKeyFTFTTXHMURVLMG-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.54
Rot. Bonds3

About [1-[(3-chlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol

[1-[(3-chlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102788253) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is [1-[(3-chlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(3-chlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
PubChem CID102788253
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name[1-[(3-chlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(Cc2cccc(Cl)c2)C1CO
InChIInChI=1S/C13H18ClNO/c1-10-5-6-15(13(10)9-16)8-11-3-2-4-12(14)7-11/h2-4,7,10,13,16H,5-6,8-9H2,1H3
InChIKeyFTFTTXHMURVLMG-UHFFFAOYSA-N
XLogP2.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(3-chlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-[(3-chlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol (CID 102788253) is [1-[(3-chlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[(3-chlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[(3-chlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol is CC1CCN(Cc2cccc(Cl)c2)C1CO.
What is the InChIKey of [1-[(3-chlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is FTFTTXHMURVLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-10-5-6-15(13(10)9-16)8-11-3-2-4-12(14)7-11/h2-4,7,10,13,16H,5-6,8-9H2,1H3.
What are the key properties of [1-[(3-chlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol?
[1-[(3-chlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 239.75 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-chlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102788253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).