1-(4-methoxy-3-methylphenyl)-1-pyrrolidin-2-ylethanol

C14H21NO2 — CID 82291205

IUPAC1-(4-methoxy-3-methylphenyl)-1-pyrrolidin-2-ylethanol
SMILESCOc1ccc(C(C)(O)C2CCCN2)cc1C
InChIInChI=1S/C14H21NO2/c1-10-9-11(6-7-12(10)17-3)14(2,16)13-5-4-8-15-13/h6-7,9,13,15-16H,4-5,8H2,1-3H3
InChIKeyPTDQJZKEVOKIED-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.96
Rot. Bonds3

About 1-(4-methoxy-3-methylphenyl)-1-pyrrolidin-2-ylethanol

1-(4-methoxy-3-methylphenyl)-1-pyrrolidin-2-ylethanol (PubChem CID 82291205) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(4-methoxy-3-methylphenyl)-1-pyrrolidin-2-ylethanol.

Molecular Properties

Compound Name1-(4-methoxy-3-methylphenyl)-1-pyrrolidin-2-ylethanol
PubChem CID82291205
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-(4-methoxy-3-methylphenyl)-1-pyrrolidin-2-ylethanol
SMILESCOc1ccc(C(C)(O)C2CCCN2)cc1C
InChIInChI=1S/C14H21NO2/c1-10-9-11(6-7-12(10)17-3)14(2,16)13-5-4-8-15-13/h6-7,9,13,15-16H,4-5,8H2,1-3H3
InChIKeyPTDQJZKEVOKIED-UHFFFAOYSA-N
XLogP1.96
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluoro-3-methylphenyl)-1-pyrrolidin-2-ylethanol
CID 82287159
1-(3-methylphenyl)-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 155141493
1-(5-chloro-2-methoxy-4-methylphenyl)-1-pyrrolidin-2-ylethanol
CID 82305742
(1S)-1-phenyl-1-[(2R)-pyrrolidin-2-yl]ethanol
CID 13068815
3-(1-hydroxy-1-pyrrolidin-2-ylethyl)benzonitrile
CID 115481382
1-(4-phenoxyphenyl)-1-pyrrolidin-2-ylethanol
CID 68769138
4-(1-hydroxy-1-piperidin-2-ylethyl)phenol
CID 83075523
1-(4-butoxyphenyl)-1-pyrrolidin-2-ylethanol
CID 112512823
1-(furan-3-yl)-1-pyrrolidin-2-ylethanol
CID 115467228
bis(4-methoxy-3,5-dimethylphenyl)-[(2S)-piperidin-2-yl]methanol
CID 102508076
1-(3-chloro-4-methoxyphenyl)-1-piperidin-3-ylethanol
CID 82305735
bis(4-methylphenyl)-pyrrolidin-2-ylmethanol
CID 14813972

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-methylphenyl)-1-pyrrolidin-2-ylethanol?
The IUPAC name of 1-(4-methoxy-3-methylphenyl)-1-pyrrolidin-2-ylethanol (CID 82291205) is 1-(4-methoxy-3-methylphenyl)-1-pyrrolidin-2-ylethanol.
What is the SMILES notation for 1-(4-methoxy-3-methylphenyl)-1-pyrrolidin-2-ylethanol?
The canonical SMILES for 1-(4-methoxy-3-methylphenyl)-1-pyrrolidin-2-ylethanol is COc1ccc(C(C)(O)C2CCCN2)cc1C.
What is the InChIKey of 1-(4-methoxy-3-methylphenyl)-1-pyrrolidin-2-ylethanol?
The InChIKey is PTDQJZKEVOKIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-9-11(6-7-12(10)17-3)14(2,16)13-5-4-8-15-13/h6-7,9,13,15-16H,4-5,8H2,1-3H3.
What are the key properties of 1-(4-methoxy-3-methylphenyl)-1-pyrrolidin-2-ylethanol?
1-(4-methoxy-3-methylphenyl)-1-pyrrolidin-2-ylethanol has a molecular weight of 235.33 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-methylphenyl)-1-pyrrolidin-2-ylethanol is sourced from PubChem (CID 82291205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).