[1-[4-(ethylaminomethyl)-2-methylphenyl]pyrrolidin-2-yl]methanol

C15H24N2O — CID 62121883

IUPAC[1-[4-(ethylaminomethyl)-2-methylphenyl]pyrrolidin-2-yl]methanol
SMILESCCNCc1ccc(N2CCCC2CO)c(C)c1
InChIInChI=1S/C15H24N2O/c1-3-16-10-13-6-7-15(12(2)9-13)17-8-4-5-14(17)11-18/h6-7,9,14,16,18H,3-5,8,10-11H2,1-2H3
InChIKeyUVQJXIWSZCZWQM-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.07
Rot. Bonds5

About [1-[4-(ethylaminomethyl)-2-methylphenyl]pyrrolidin-2-yl]methanol

[1-[4-(ethylaminomethyl)-2-methylphenyl]pyrrolidin-2-yl]methanol (PubChem CID 62121883) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is [1-[4-(ethylaminomethyl)-2-methylphenyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[4-(ethylaminomethyl)-2-methylphenyl]pyrrolidin-2-yl]methanol
PubChem CID62121883
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name[1-[4-(ethylaminomethyl)-2-methylphenyl]pyrrolidin-2-yl]methanol
SMILESCCNCc1ccc(N2CCCC2CO)c(C)c1
InChIInChI=1S/C15H24N2O/c1-3-16-10-13-6-7-15(12(2)9-13)17-8-4-5-14(17)11-18/h6-7,9,14,16,18H,3-5,8,10-11H2,1-2H3
InChIKeyUVQJXIWSZCZWQM-UHFFFAOYSA-N
XLogP2.07
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(2-ethylpyrrolidin-1-yl)-3-methylphenyl]methyl]ethanamine
CID 55040407
[1-[2-methyl-4-(propylaminomethyl)phenyl]piperidin-2-yl]methanol
CID 62121881
N-[[4-(2-ethylpyrrolidin-1-yl)-3-methylphenyl]methyl]-2-methylpropan-1-amine
CID 63059703
[1-(4-amino-2-methylphenyl)pyrrolidin-2-yl]methanol
CID 61410897
3-[1-[2-chloro-4-(ethylaminomethyl)phenyl]pyrrolidin-2-yl]propan-1-ol
CID 81148737
4-[2-(hydroxymethyl)piperidin-1-yl]-3-methylbenzaldehyde
CID 62122634
N-[[4-(2-ethylpiperidin-1-yl)-3-methoxyphenyl]methyl]ethanamine
CID 84754215
N-[[4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-methylphenyl]methyl]ethanamine
CID 62121210
N-[[6-(2-ethylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]methyl]ethanamine
CID 80630583
N-[[4-(3-ethoxypiperidin-1-yl)-3-methylphenyl]methyl]ethanamine
CID 62125093
[1-[4-[(tert-butylamino)methyl]-2-chlorophenyl]piperidin-2-yl]methanol
CID 81147829
N-[[4-(4-methoxypiperidin-1-yl)-3-methylphenyl]methyl]ethanamine
CID 62120152

Frequently Asked Questions

What is the IUPAC name of [1-[4-(ethylaminomethyl)-2-methylphenyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[4-(ethylaminomethyl)-2-methylphenyl]pyrrolidin-2-yl]methanol (CID 62121883) is [1-[4-(ethylaminomethyl)-2-methylphenyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[4-(ethylaminomethyl)-2-methylphenyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[4-(ethylaminomethyl)-2-methylphenyl]pyrrolidin-2-yl]methanol is CCNCc1ccc(N2CCCC2CO)c(C)c1.
What is the InChIKey of [1-[4-(ethylaminomethyl)-2-methylphenyl]pyrrolidin-2-yl]methanol?
The InChIKey is UVQJXIWSZCZWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-16-10-13-6-7-15(12(2)9-13)17-8-4-5-14(17)11-18/h6-7,9,14,16,18H,3-5,8,10-11H2,1-2H3.
What are the key properties of [1-[4-(ethylaminomethyl)-2-methylphenyl]pyrrolidin-2-yl]methanol?
[1-[4-(ethylaminomethyl)-2-methylphenyl]pyrrolidin-2-yl]methanol has a molecular weight of 248.37 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(ethylaminomethyl)-2-methylphenyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 62121883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).