[1-(4-ethylphenyl)-2-methylpyrrolidin-3-yl]methanol

C14H21NO — CID 117021981

IUPAC[1-(4-ethylphenyl)-2-methylpyrrolidin-3-yl]methanol
SMILESCCc1ccc(N2CCC(CO)C2C)cc1
InChIInChI=1S/C14H21NO/c1-3-12-4-6-14(7-5-12)15-9-8-13(10-16)11(15)2/h4-7,11,13,16H,3,8-10H2,1-2H3
InChIKeyWABSICRABJGOOP-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.46
Rot. Bonds3

About [1-(4-ethylphenyl)-2-methylpyrrolidin-3-yl]methanol

[1-(4-ethylphenyl)-2-methylpyrrolidin-3-yl]methanol (PubChem CID 117021981) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is [1-(4-ethylphenyl)-2-methylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(4-ethylphenyl)-2-methylpyrrolidin-3-yl]methanol
PubChem CID117021981
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name[1-(4-ethylphenyl)-2-methylpyrrolidin-3-yl]methanol
SMILESCCc1ccc(N2CCC(CO)C2C)cc1
InChIInChI=1S/C14H21NO/c1-3-12-4-6-14(7-5-12)15-9-8-13(10-16)11(15)2/h4-7,11,13,16H,3,8-10H2,1-2H3
InChIKeyWABSICRABJGOOP-UHFFFAOYSA-N
XLogP2.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethylphenyl)-N,2-dimethylpiperidin-4-amine
CID 54975874
N-methyl-1-[2-methyl-1-(4-methylphenyl)pyrrolidin-3-yl]methanamine
CID 117022672
1-(4-butylphenyl)-2,3-dimethylpiperidin-4-amine
CID 79398279
4-ethyl-1-(4-ethylphenyl)piperidine
CID 70847074
[1-(4-aminophenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102777231
1-[4-(chloromethyl)phenyl]-2,3-dimethylpiperidine
CID 62123401
(1,2-dimethylpyrrolidin-3-yl)methanol;dihydrochloride
CID 142403583
(2S)-2-ethyl-1-phenylpyrrolidin-3-ol
CID 167069518
ethane;4-ethyl-1-(4-ethylphenyl)piperidine
CID 142390325
1-[4-(4-ethylphenyl)phenyl]piperazine
CID 82092038
1,4-dimethylcyclohexane;1-ethyl-4-(4-ethylphenyl)piperazine;1,4-xylene
CID 167661867
N-(4-ethylphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carbothioamide
CID 17299128

Frequently Asked Questions

What is the IUPAC name of [1-(4-ethylphenyl)-2-methylpyrrolidin-3-yl]methanol?
The IUPAC name of [1-(4-ethylphenyl)-2-methylpyrrolidin-3-yl]methanol (CID 117021981) is [1-(4-ethylphenyl)-2-methylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(4-ethylphenyl)-2-methylpyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(4-ethylphenyl)-2-methylpyrrolidin-3-yl]methanol is CCc1ccc(N2CCC(CO)C2C)cc1.
What is the InChIKey of [1-(4-ethylphenyl)-2-methylpyrrolidin-3-yl]methanol?
The InChIKey is WABSICRABJGOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-12-4-6-14(7-5-12)15-9-8-13(10-16)11(15)2/h4-7,11,13,16H,3,8-10H2,1-2H3.
What are the key properties of [1-(4-ethylphenyl)-2-methylpyrrolidin-3-yl]methanol?
[1-(4-ethylphenyl)-2-methylpyrrolidin-3-yl]methanol has a molecular weight of 219.33 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethylphenyl)-2-methylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 117021981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).