[2-(3-methylpyrrolidin-3-yl)anilino]methanol

C12H18N2O — CID 70950675

IUPAC[2-(3-methylpyrrolidin-3-yl)anilino]methanol
SMILESCC1(c2ccccc2NCO)CCNC1
InChIInChI=1S/C12H18N2O/c1-12(6-7-13-8-12)10-4-2-3-5-11(10)14-9-15/h2-5,13-15H,6-9H2,1H3
InChIKeyOTHLJHUQJZKMCY-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.30
Rot. Bonds3

About [2-(3-methylpyrrolidin-3-yl)anilino]methanol

[2-(3-methylpyrrolidin-3-yl)anilino]methanol (PubChem CID 70950675) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is [2-(3-methylpyrrolidin-3-yl)anilino]methanol.

Molecular Properties

Compound Name[2-(3-methylpyrrolidin-3-yl)anilino]methanol
PubChem CID70950675
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name[2-(3-methylpyrrolidin-3-yl)anilino]methanol
SMILESCC1(c2ccccc2NCO)CCNC1
InChIInChI=1S/C12H18N2O/c1-12(6-7-13-8-12)10-4-2-3-5-11(10)14-9-15/h2-5,13-15H,6-9H2,1H3
InChIKeyOTHLJHUQJZKMCY-UHFFFAOYSA-N
XLogP1.30
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 8703
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CID 12655251
2-(2-Ethylanilino)ethanol
CID 251080
2,3,3-Trimethylindoline
CID 10942760
2-(2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine
CID 11074217
3,3,5-Trimethylindoline
CID 15399353
2,3-Dihydro-N,3-dimethyl-1-phenyl-1H-indole-3-propanamine
CID 31707
3-Farnesylindole
CID 49768248
3-Methylindoline
CID 524504
2-Propanol, 1-((1,1-dimethylethyl)amino)-3-((2-(1-methylethyl)phenyl)amino)-
CID 3062649
3,3,5-Trimethylindoline hydrochloride
CID 169448943

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylpyrrolidin-3-yl)anilino]methanol?
The IUPAC name of [2-(3-methylpyrrolidin-3-yl)anilino]methanol (CID 70950675) is [2-(3-methylpyrrolidin-3-yl)anilino]methanol.
What is the SMILES notation for [2-(3-methylpyrrolidin-3-yl)anilino]methanol?
The canonical SMILES for [2-(3-methylpyrrolidin-3-yl)anilino]methanol is CC1(c2ccccc2NCO)CCNC1.
What is the InChIKey of [2-(3-methylpyrrolidin-3-yl)anilino]methanol?
The InChIKey is OTHLJHUQJZKMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-12(6-7-13-8-12)10-4-2-3-5-11(10)14-9-15/h2-5,13-15H,6-9H2,1H3.
What are the key properties of [2-(3-methylpyrrolidin-3-yl)anilino]methanol?
[2-(3-methylpyrrolidin-3-yl)anilino]methanol has a molecular weight of 206.29 g/mol, XLogP of 1.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylpyrrolidin-3-yl)anilino]methanol is sourced from PubChem (CID 70950675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).