[1-[(2-aminophenyl)methyl]pyrrolidin-3-yl]methanol

C12H18N2O — CID 112624443

IUPAC[1-[(2-aminophenyl)methyl]pyrrolidin-3-yl]methanol
SMILESNc1ccccc1CN1CCC(CO)C1
InChIInChI=1S/C12H18N2O/c13-12-4-2-1-3-11(12)8-14-6-5-10(7-14)9-15/h1-4,10,15H,5-9,13H2
InChIKeyHXQLUJBKIKUYBY-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.08
Rot. Bonds3

About [1-[(2-aminophenyl)methyl]pyrrolidin-3-yl]methanol

[1-[(2-aminophenyl)methyl]pyrrolidin-3-yl]methanol (PubChem CID 112624443) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is [1-[(2-aminophenyl)methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(2-aminophenyl)methyl]pyrrolidin-3-yl]methanol
PubChem CID112624443
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name[1-[(2-aminophenyl)methyl]pyrrolidin-3-yl]methanol
SMILESNc1ccccc1CN1CCC(CO)C1
InChIInChI=1S/C12H18N2O/c13-12-4-2-1-3-11(12)8-14-6-5-10(7-14)9-15/h1-4,10,15H,5-9,13H2
InChIKeyHXQLUJBKIKUYBY-UHFFFAOYSA-N
XLogP1.08
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [1-[(2-aminophenyl)methyl]pyrrolidin-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]aniline
CID 64570821
2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzohydrazide
CID 112629323
2-[(3-chloropyrrolidin-1-yl)methyl]aniline
CID 130150251
1-[(2-aminophenyl)methyl]-3-methylpiperidin-4-ol
CID 114677986
(1-benzylpyrrolidin-3-yl)methanol;hydrochloride
CID 75485238
2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]methyl]aniline
CID 124746618
methyl 2-[2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetate
CID 115463329
[(3S)-1-[(2-bromophenyl)methyl]piperidin-3-yl]methanol
CID 40514210
2-[(3-ethylpyrrolidin-1-yl)methyl]phenol
CID 115884823
[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol
CID 62371901
2-[2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]acetohydrazide
CID 115465290
2-[[(3R)-3-(hydroxymethyl)piperidin-1-yl]methyl]benzonitrile
CID 86311278

Frequently Asked Questions

What is the IUPAC name of [1-[(2-aminophenyl)methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[(2-aminophenyl)methyl]pyrrolidin-3-yl]methanol (CID 112624443) is [1-[(2-aminophenyl)methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[(2-aminophenyl)methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[(2-aminophenyl)methyl]pyrrolidin-3-yl]methanol is Nc1ccccc1CN1CCC(CO)C1.
What is the InChIKey of [1-[(2-aminophenyl)methyl]pyrrolidin-3-yl]methanol?
The InChIKey is HXQLUJBKIKUYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c13-12-4-2-1-3-11(12)8-14-6-5-10(7-14)9-15/h1-4,10,15H,5-9,13H2.
What are the key properties of [1-[(2-aminophenyl)methyl]pyrrolidin-3-yl]methanol?
[1-[(2-aminophenyl)methyl]pyrrolidin-3-yl]methanol has a molecular weight of 206.29 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-aminophenyl)methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 112624443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).