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

C12H18N2O — CID 102777231

IUPAC[1-(4-aminophenyl)-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(c2ccc(N)cc2)C1CO
InChIInChI=1S/C12H18N2O/c1-9-6-7-14(12(9)8-15)11-4-2-10(13)3-5-11/h2-5,9,12,15H,6-8,13H2,1H3
InChIKeyDDDAZTRJRSJMSY-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.48
Rot. Bonds2

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

[1-(4-aminophenyl)-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102777231) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is [1-(4-aminophenyl)-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(4-aminophenyl)-3-methylpyrrolidin-2-yl]methanol
PubChem CID102777231
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name[1-(4-aminophenyl)-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(c2ccc(N)cc2)C1CO
InChIInChI=1S/C12H18N2O/c1-9-6-7-14(12(9)8-15)11-4-2-10(13)3-5-11/h2-5,9,12,15H,6-8,13H2,1H3
InChIKeyDDDAZTRJRSJMSY-UHFFFAOYSA-N
XLogP1.48
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[1-(4-amino-3-methylphenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102777435
1-[4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]ethanone
CID 102781685
(1R)-1-[4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]ethanol
CID 102782294
[1-(4-amino-2-methylphenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102777305
1-[4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]propan-1-ol
CID 114066937
[1-(2-aminophenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102777296
[1-[4-(hydroxymethyl)-3-methylphenyl]-3-methylpyrrolidin-2-yl]methanol
CID 102782359
2-[2-amino-5-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]acetonitrile
CID 102777273
[1-(4-amino-3-propoxyphenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102777483
4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-2-carboximidamide
CID 102781467
(1R)-1-[5-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-pyridinyl]propan-1-ol
CID 102782283
1-[2-chloro-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]ethanol
CID 102782260

Frequently Asked Questions

What is the IUPAC name of [1-(4-aminophenyl)-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-(4-aminophenyl)-3-methylpyrrolidin-2-yl]methanol (CID 102777231) is [1-(4-aminophenyl)-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(4-aminophenyl)-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(4-aminophenyl)-3-methylpyrrolidin-2-yl]methanol is CC1CCN(c2ccc(N)cc2)C1CO.
What is the InChIKey of [1-(4-aminophenyl)-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is DDDAZTRJRSJMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9-6-7-14(12(9)8-15)11-4-2-10(13)3-5-11/h2-5,9,12,15H,6-8,13H2,1H3.
What are the key properties of [1-(4-aminophenyl)-3-methylpyrrolidin-2-yl]methanol?
[1-(4-aminophenyl)-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 206.29 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-aminophenyl)-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102777231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).