[1-(2-chlorophenyl)-5,5-dimethylpyrrolidin-3-yl]methanol

C13H18ClNO — CID 117018867

IUPAC[1-(2-chlorophenyl)-5,5-dimethylpyrrolidin-3-yl]methanol
SMILESCC1(C)CC(CO)CN1c1ccccc1Cl
InChIInChI=1S/C13H18ClNO/c1-13(2)7-10(9-16)8-15(13)12-6-4-3-5-11(12)14/h3-6,10,16H,7-9H2,1-2H3
InChIKeyPFHXFSCXNCWFGJ-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.94
Rot. Bonds2

About [1-(2-chlorophenyl)-5,5-dimethylpyrrolidin-3-yl]methanol

[1-(2-chlorophenyl)-5,5-dimethylpyrrolidin-3-yl]methanol (PubChem CID 117018867) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is [1-(2-chlorophenyl)-5,5-dimethylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(2-chlorophenyl)-5,5-dimethylpyrrolidin-3-yl]methanol
PubChem CID117018867
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name[1-(2-chlorophenyl)-5,5-dimethylpyrrolidin-3-yl]methanol
SMILESCC1(C)CC(CO)CN1c1ccccc1Cl
InChIInChI=1S/C13H18ClNO/c1-13(2)7-10(9-16)8-15(13)12-6-4-3-5-11(12)14/h3-6,10,16H,7-9H2,1-2H3
InChIKeyPFHXFSCXNCWFGJ-UHFFFAOYSA-N
XLogP2.94
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-chlorophenyl)-5,5-dimethylpyrrolidin-3-yl]acetonitrile
CID 117018622
1-(2-chlorophenyl)-5,5-dimethylpyrrolidin-3-amine
CID 117018127
1-(2-chlorophenyl)-6,6-dimethylpiperidin-3-amine
CID 117021020
1-(2-chlorophenyl)-2,2-dimethylpiperidin-4-amine
CID 117020121
2-[1-(2-fluorophenyl)-5,5-dimethylpyrrolidin-3-yl]acetic acid
CID 117018480
4-[4-(hydroxymethyl)-2,2-dimethylpyrrolidin-1-yl]benzonitrile
CID 117018906
[1-(2-tert-butylphenyl)-5,5-dimethylpyrrolidin-3-yl]methanamine
CID 117018770
[1-(2,3-dimethylphenyl)-2,2-dimethylpiperidin-4-yl]methanol
CID 117020696
[(3R)-1,5,5-trimethylpyrrolidin-3-yl]methanol
CID 129462864
2-[1-(2-methoxyphenyl)-6,6-dimethylpiperidin-3-yl]ethanol
CID 117021351
2-[1-(2-chlorophenyl)-2,2-dimethylpyrrolidin-3-yl]ethanamine
CID 117017576
[4-(2-chlorophenyl)morpholin-3-yl]methanol
CID 117009212

Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorophenyl)-5,5-dimethylpyrrolidin-3-yl]methanol?
The IUPAC name of [1-(2-chlorophenyl)-5,5-dimethylpyrrolidin-3-yl]methanol (CID 117018867) is [1-(2-chlorophenyl)-5,5-dimethylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(2-chlorophenyl)-5,5-dimethylpyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(2-chlorophenyl)-5,5-dimethylpyrrolidin-3-yl]methanol is CC1(C)CC(CO)CN1c1ccccc1Cl.
What is the InChIKey of [1-(2-chlorophenyl)-5,5-dimethylpyrrolidin-3-yl]methanol?
The InChIKey is PFHXFSCXNCWFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-13(2)7-10(9-16)8-15(13)12-6-4-3-5-11(12)14/h3-6,10,16H,7-9H2,1-2H3.
What are the key properties of [1-(2-chlorophenyl)-5,5-dimethylpyrrolidin-3-yl]methanol?
[1-(2-chlorophenyl)-5,5-dimethylpyrrolidin-3-yl]methanol has a molecular weight of 239.75 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chlorophenyl)-5,5-dimethylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 117018867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).