[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methanol

C12H15Cl2NO — CID 65321311

IUPAC[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H15Cl2NO/c13-10-3-4-12(14)9(6-10)7-15-5-1-2-11(15)8-16/h3-4,6,11,16H,1-2,5,7-8H2
InChIKeyMAUMVPMSGLNRSP-UHFFFAOYSA-N
MW260.16 g/mol
LogP2.95
Rot. Bonds3

About [1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methanol

[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methanol (PubChem CID 65321311) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is [1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methanol
PubChem CID65321311
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H15Cl2NO/c13-10-3-4-12(14)9(6-10)7-15-5-1-2-11(15)8-16/h3-4,6,11,16H,1-2,5,7-8H2
InChIKeyMAUMVPMSGLNRSP-UHFFFAOYSA-N
XLogP2.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methanol
CID 86329631
2-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]pyrrolidine
CID 65318647
3-[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 65321407
[1-[(5-chloro-2-fluorophenyl)methyl]piperidin-2-yl]methanol
CID 103881513
[1-[(2,4-dichlorophenyl)methyl]azepan-2-yl]methanol
CID 116637812
[(2R)-1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 62733109
[(2S)-1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methanamine
CID 86329767
N-[[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine
CID 65317442
2-(bromomethyl)-1-[(2,5-dichlorophenyl)methyl]azepane
CID 116638390
N-[[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine
CID 65317396
1-[1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 65318364
[(2S)-1-[2-(2,5-dichlorophenyl)sulfanylethyl]pyrrolidin-2-yl]methanol
CID 78993195

Frequently Asked Questions

What is the IUPAC name of [1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methanol (CID 65321311) is [1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methanol is OCC1CCCN1Cc1cc(Cl)ccc1Cl.
What is the InChIKey of [1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methanol?
The InChIKey is MAUMVPMSGLNRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c13-10-3-4-12(14)9(6-10)7-15-5-1-2-11(15)8-16/h3-4,6,11,16H,1-2,5,7-8H2.
What are the key properties of [1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methanol?
[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methanol has a molecular weight of 260.16 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 65321311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).