[1-[3-methyl-4-[(2-methylphenyl)methyl]phenyl]pyrrolidin-2-yl]methanol

C20H25NO — CID 67085949

IUPAC[1-[3-methyl-4-[(2-methylphenyl)methyl]phenyl]pyrrolidin-2-yl]methanol
SMILESCc1ccccc1Cc1ccc(N2CCCC2CO)cc1C
InChIInChI=1S/C20H25NO/c1-15-6-3-4-7-17(15)13-18-9-10-19(12-16(18)2)21-11-5-8-20(21)14-22/h3-4,6-7,9-10,12,20,22H,5,8,11,13-14H2,1-2H3
InChIKeyZRJLPZPJFGOAJF-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.86
Rot. Bonds4

About [1-[3-methyl-4-[(2-methylphenyl)methyl]phenyl]pyrrolidin-2-yl]methanol

[1-[3-methyl-4-[(2-methylphenyl)methyl]phenyl]pyrrolidin-2-yl]methanol (PubChem CID 67085949) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is [1-[3-methyl-4-[(2-methylphenyl)methyl]phenyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[3-methyl-4-[(2-methylphenyl)methyl]phenyl]pyrrolidin-2-yl]methanol
PubChem CID67085949
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name[1-[3-methyl-4-[(2-methylphenyl)methyl]phenyl]pyrrolidin-2-yl]methanol
SMILESCc1ccccc1Cc1ccc(N2CCCC2CO)cc1C
InChIInChI=1S/C20H25NO/c1-15-6-3-4-7-17(15)13-18-9-10-19(12-16(18)2)21-11-5-8-20(21)14-22/h3-4,6-7,9-10,12,20,22H,5,8,11,13-14H2,1-2H3
InChIKeyZRJLPZPJFGOAJF-UHFFFAOYSA-N
XLogP3.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.86
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

[4-(2-ethylpyrrolidin-1-yl)-2-methylphenyl]methanol
CID 62134365
[1-[3-methyl-4-[(propan-2-ylamino)methyl]phenyl]piperidin-2-yl]methanol
CID 62134031
[1-[3-methyl-4-[(propan-2-ylamino)methyl]phenyl]azepan-2-yl]methanol
CID 116635458
[(2R)-1-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanol
CID 143518892
3-[1-[4-(aminomethyl)-3-methylphenyl]pyrrolidin-2-yl]propan-1-ol
CID 55076124
[(2R)-1-(3-fluorophenyl)pyrrolidin-2-yl]methanol
CID 173099689
4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]benzenesulfonic acid
CID 91451326
[(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]methanol
CID 796363
1-[3-[2-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanone
CID 117028425
4-[2-(hydroxymethyl)piperidin-1-yl]benzene-1,2-diol
CID 68535089
[4-(2-ethylazepan-1-yl)-2-methylphenyl]methanamine
CID 104688921
[1-[6-(2-methylphenyl)pyridazin-3-yl]pyrrolidin-2-yl]methanol
CID 116972878

Frequently Asked Questions

What is the IUPAC name of [1-[3-methyl-4-[(2-methylphenyl)methyl]phenyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[3-methyl-4-[(2-methylphenyl)methyl]phenyl]pyrrolidin-2-yl]methanol (CID 67085949) is [1-[3-methyl-4-[(2-methylphenyl)methyl]phenyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[3-methyl-4-[(2-methylphenyl)methyl]phenyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[3-methyl-4-[(2-methylphenyl)methyl]phenyl]pyrrolidin-2-yl]methanol is Cc1ccccc1Cc1ccc(N2CCCC2CO)cc1C.
What is the InChIKey of [1-[3-methyl-4-[(2-methylphenyl)methyl]phenyl]pyrrolidin-2-yl]methanol?
The InChIKey is ZRJLPZPJFGOAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-15-6-3-4-7-17(15)13-18-9-10-19(12-16(18)2)21-11-5-8-20(21)14-22/h3-4,6-7,9-10,12,20,22H,5,8,11,13-14H2,1-2H3.
What are the key properties of [1-[3-methyl-4-[(2-methylphenyl)methyl]phenyl]pyrrolidin-2-yl]methanol?
[1-[3-methyl-4-[(2-methylphenyl)methyl]phenyl]pyrrolidin-2-yl]methanol has a molecular weight of 295.43 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-methyl-4-[(2-methylphenyl)methyl]phenyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 67085949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).