[4-(2-ethylpyrrolidin-1-yl)-2-methylphenyl]methanol

C14H21NO — CID 62134365

IUPAC[4-(2-ethylpyrrolidin-1-yl)-2-methylphenyl]methanol
SMILESCCC1CCCN1c1ccc(CO)c(C)c1
InChIInChI=1S/C14H21NO/c1-3-13-5-4-8-15(13)14-7-6-12(10-16)11(2)9-14/h6-7,9,13,16H,3-5,8,10H2,1-2H3
InChIKeyYPXCMBMDUDRUFK-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.87
Rot. Bonds3

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

[4-(2-ethylpyrrolidin-1-yl)-2-methylphenyl]methanol (PubChem CID 62134365) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is [4-(2-ethylpyrrolidin-1-yl)-2-methylphenyl]methanol.

Molecular Properties

Compound Name[4-(2-ethylpyrrolidin-1-yl)-2-methylphenyl]methanol
PubChem CID62134365
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name[4-(2-ethylpyrrolidin-1-yl)-2-methylphenyl]methanol
SMILESCCC1CCCN1c1ccc(CO)c(C)c1
InChIInChI=1S/C14H21NO/c1-3-13-5-4-8-15(13)14-7-6-12(10-16)11(2)9-14/h6-7,9,13,16H,3-5,8,10H2,1-2H3
InChIKeyYPXCMBMDUDRUFK-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

[4-(2-ethylazepan-1-yl)-2-methylphenyl]methanamine
CID 104688921
4-(2-ethylpyrrolidin-1-yl)-2-methylaniline
CID 60974665
[1-[3-methyl-4-[(2-methylphenyl)methyl]phenyl]pyrrolidin-2-yl]methanol
CID 67085949
4-(2-ethylpyrrolidin-1-yl)-2-methylbenzenecarbothioamide
CID 81275990
N-[[4-(2-ethylazepan-1-yl)-2-methylphenyl]methyl]cyclopropanamine
CID 104690769
3-[1-[4-(aminomethyl)-3-methylphenyl]pyrrolidin-2-yl]propan-1-ol
CID 55076124
1-[4-(hydroxymethyl)-3-methylphenyl]-N-methylpyrrolidine-2-carboxamide
CID 62135549
[4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylphenyl]methanol
CID 83219086
4-(2-ethylazepan-1-yl)-2-methylaniline
CID 104688805
1-[4-(hydroxymethyl)-3-methylphenyl]piperidine-2-carboxamide
CID 55039017
[1-[4-(hydroxymethyl)-3-methylphenyl]-3-methylpyrrolidin-2-yl]methanol
CID 102782359
4-(2-ethylpiperidin-1-yl)-2-methylbenzaldehyde
CID 55038666

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethylpyrrolidin-1-yl)-2-methylphenyl]methanol?
The IUPAC name of [4-(2-ethylpyrrolidin-1-yl)-2-methylphenyl]methanol (CID 62134365) is [4-(2-ethylpyrrolidin-1-yl)-2-methylphenyl]methanol.
What is the SMILES notation for [4-(2-ethylpyrrolidin-1-yl)-2-methylphenyl]methanol?
The canonical SMILES for [4-(2-ethylpyrrolidin-1-yl)-2-methylphenyl]methanol is CCC1CCCN1c1ccc(CO)c(C)c1.
What is the InChIKey of [4-(2-ethylpyrrolidin-1-yl)-2-methylphenyl]methanol?
The InChIKey is YPXCMBMDUDRUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-13-5-4-8-15(13)14-7-6-12(10-16)11(2)9-14/h6-7,9,13,16H,3-5,8,10H2,1-2H3.
What are the key properties of [4-(2-ethylpyrrolidin-1-yl)-2-methylphenyl]methanol?
[4-(2-ethylpyrrolidin-1-yl)-2-methylphenyl]methanol has a molecular weight of 219.33 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethylpyrrolidin-1-yl)-2-methylphenyl]methanol is sourced from PubChem (CID 62134365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).