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

C12H18N2O — CID 139612456

IUPAC[1-(4-aminophenyl)-3-methylpyrrolidin-3-yl]methanol
SMILESCC1(CO)CCN(c2ccc(N)cc2)C1
InChIInChI=1S/C12H18N2O/c1-12(9-15)6-7-14(8-12)11-4-2-10(13)3-5-11/h2-5,15H,6-9,13H2,1H3
InChIKeyVOLDBAMBIRRICS-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.48
Rot. Bonds2

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

[1-(4-aminophenyl)-3-methylpyrrolidin-3-yl]methanol (PubChem CID 139612456) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is [1-(4-aminophenyl)-3-methylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(4-aminophenyl)-3-methylpyrrolidin-3-yl]methanol
PubChem CID139612456
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name[1-(4-aminophenyl)-3-methylpyrrolidin-3-yl]methanol
SMILESCC1(CO)CCN(c2ccc(N)cc2)C1
InChIInChI=1S/C12H18N2O/c1-12(9-15)6-7-14(8-12)11-4-2-10(13)3-5-11/h2-5,15H,6-9,13H2,1H3
InChIKeyVOLDBAMBIRRICS-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_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(4-aminophenyl)-3-methylpyrrolidin-3-yl]methanol?
The IUPAC name of [1-(4-aminophenyl)-3-methylpyrrolidin-3-yl]methanol (CID 139612456) is [1-(4-aminophenyl)-3-methylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(4-aminophenyl)-3-methylpyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(4-aminophenyl)-3-methylpyrrolidin-3-yl]methanol is CC1(CO)CCN(c2ccc(N)cc2)C1.
What is the InChIKey of [1-(4-aminophenyl)-3-methylpyrrolidin-3-yl]methanol?
The InChIKey is VOLDBAMBIRRICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-12(9-15)6-7-14(8-12)11-4-2-10(13)3-5-11/h2-5,15H,6-9,13H2,1H3.
What are the key properties of [1-(4-aminophenyl)-3-methylpyrrolidin-3-yl]methanol?
[1-(4-aminophenyl)-3-methylpyrrolidin-3-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-3-yl]methanol is sourced from PubChem (CID 139612456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).