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

C13H20N2O — CID 102777435

IUPAC[1-(4-amino-3-methylphenyl)-3-methylpyrrolidin-2-yl]methanol
SMILESCc1cc(N2CCC(C)C2CO)ccc1N
InChIInChI=1S/C13H20N2O/c1-9-5-6-15(13(9)8-16)11-3-4-12(14)10(2)7-11/h3-4,7,9,13,16H,5-6,8,14H2,1-2H3
InChIKeyCKSKHSSNRODCJW-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.78
Rot. Bonds2

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

[1-(4-amino-3-methylphenyl)-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102777435) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is [1-(4-amino-3-methylphenyl)-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(4-amino-3-methylphenyl)-3-methylpyrrolidin-2-yl]methanol
PubChem CID102777435
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name[1-(4-amino-3-methylphenyl)-3-methylpyrrolidin-2-yl]methanol
SMILESCc1cc(N2CCC(C)C2CO)ccc1N
InChIInChI=1S/C13H20N2O/c1-9-5-6-15(13(9)8-16)11-3-4-12(14)10(2)7-11/h3-4,7,9,13,16H,5-6,8,14H2,1-2H3
InChIKeyCKSKHSSNRODCJW-UHFFFAOYSA-N
XLogP1.78
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[1-[4-(hydroxymethyl)-3-methylphenyl]-3-methylpyrrolidin-2-yl]methanol
CID 102782359
[1-(4-aminophenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102777231
[1-(4-amino-3-propoxyphenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102777483
2-[2-amino-5-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]acetonitrile
CID 102777273
[1-(4-amino-2-methylphenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102777305
[1-(2-aminophenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102777296
4-amino-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]benzonitrile
CID 102777517
1-[4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]ethanone
CID 102781685
1-[2-chloro-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]ethanol
CID 102782260
2-methyl-4-(2-methylpiperidin-1-yl)aniline
CID 43384883
[1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102787035
[3-methyl-1-[4-(methylaminomethyl)-3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]methanol
CID 102782774

Frequently Asked Questions

What is the IUPAC name of [1-(4-amino-3-methylphenyl)-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-(4-amino-3-methylphenyl)-3-methylpyrrolidin-2-yl]methanol (CID 102777435) is [1-(4-amino-3-methylphenyl)-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(4-amino-3-methylphenyl)-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(4-amino-3-methylphenyl)-3-methylpyrrolidin-2-yl]methanol is Cc1cc(N2CCC(C)C2CO)ccc1N.
What is the InChIKey of [1-(4-amino-3-methylphenyl)-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is CKSKHSSNRODCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9-5-6-15(13(9)8-16)11-3-4-12(14)10(2)7-11/h3-4,7,9,13,16H,5-6,8,14H2,1-2H3.
What are the key properties of [1-(4-amino-3-methylphenyl)-3-methylpyrrolidin-2-yl]methanol?
[1-(4-amino-3-methylphenyl)-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 220.32 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-amino-3-methylphenyl)-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102777435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).