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

C13H19NO — CID 79559902

IUPAC1-(3-methylphenyl)-2-pyrrolidin-2-ylethanol
SMILESCc1cccc(C(O)CC2CCCN2)c1
InChIInChI=1S/C13H19NO/c1-10-4-2-5-11(8-10)13(15)9-12-6-3-7-14-12/h2,4-5,8,12-15H,3,6-7,9H2,1H3
InChIKeyZZIMRZYDBSZKRP-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.17
Rot. Bonds3

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

1-(3-methylphenyl)-2-pyrrolidin-2-ylethanol (PubChem CID 79559902) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(3-methylphenyl)-2-pyrrolidin-2-ylethanol.

Molecular Properties

Compound Name1-(3-methylphenyl)-2-pyrrolidin-2-ylethanol
PubChem CID79559902
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-(3-methylphenyl)-2-pyrrolidin-2-ylethanol
SMILESCc1cccc(C(O)CC2CCCN2)c1
InChIInChI=1S/C13H19NO/c1-10-4-2-5-11(8-10)13(15)9-12-6-3-7-14-12/h2,4-5,8,12-15H,3,6-7,9H2,1H3
InChIKeyZZIMRZYDBSZKRP-UHFFFAOYSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-2-pyrrolidin-2-ylethanol
CID 79560834
2-(4-ethylpiperidin-2-yl)-1-(3-methylphenyl)ethanol
CID 114425978
1-(3-chlorophenyl)-2-piperidin-2-ylethanol
CID 79559914
2-(azepan-2-yl)-1-(3-fluorophenyl)ethanol
CID 79560091
(1S)-1-phenyl-2-[(2S)-piperidin-2-yl]ethanol
CID 10856632
(1R)-2-[(2R)-azepan-2-yl]-1-phenylethanol
CID 95788130
(1S)-2-[(2R)-azepan-2-yl]-1-phenylethanol
CID 95788131
2-pyrrolidin-2-yl-1-(2,4,6-trimethylphenyl)ethanol
CID 79560822
1-(4-aminophenyl)-2-pyrrolidin-2-ylethanol
CID 84674533
1-(4-ethylphenyl)-2-pyrrolidin-2-ylethanol
CID 79559738
1-(2,5-dimethylphenyl)-2-piperidin-2-ylethanol
CID 79560663
1-(4-methyl-3-nitrophenyl)-2-pyrrolidin-2-ylethanol
CID 81466211

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-2-pyrrolidin-2-ylethanol?
The IUPAC name of 1-(3-methylphenyl)-2-pyrrolidin-2-ylethanol (CID 79559902) is 1-(3-methylphenyl)-2-pyrrolidin-2-ylethanol.
What is the SMILES notation for 1-(3-methylphenyl)-2-pyrrolidin-2-ylethanol?
The canonical SMILES for 1-(3-methylphenyl)-2-pyrrolidin-2-ylethanol is Cc1cccc(C(O)CC2CCCN2)c1.
What is the InChIKey of 1-(3-methylphenyl)-2-pyrrolidin-2-ylethanol?
The InChIKey is ZZIMRZYDBSZKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10-4-2-5-11(8-10)13(15)9-12-6-3-7-14-12/h2,4-5,8,12-15H,3,6-7,9H2,1H3.
What are the key properties of 1-(3-methylphenyl)-2-pyrrolidin-2-ylethanol?
1-(3-methylphenyl)-2-pyrrolidin-2-ylethanol has a molecular weight of 205.30 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-2-pyrrolidin-2-ylethanol is sourced from PubChem (CID 79559902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).