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

C12H18N2O — CID 61407137

IUPAC[1-[(3-aminophenyl)methyl]pyrrolidin-2-yl]methanol
SMILESNc1cccc(CN2CCCC2CO)c1
InChIInChI=1S/C12H18N2O/c13-11-4-1-3-10(7-11)8-14-6-2-5-12(14)9-15/h1,3-4,7,12,15H,2,5-6,8-9,13H2
InChIKeyXOXKEKZUIBRUOG-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.23
Rot. Bonds3

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

[1-[(3-aminophenyl)methyl]pyrrolidin-2-yl]methanol (PubChem CID 61407137) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is [1-[(3-aminophenyl)methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(3-aminophenyl)methyl]pyrrolidin-2-yl]methanol
PubChem CID61407137
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name[1-[(3-aminophenyl)methyl]pyrrolidin-2-yl]methanol
SMILESNc1cccc(CN2CCCC2CO)c1
InChIInChI=1S/C12H18N2O/c13-11-4-1-3-10(7-11)8-14-6-2-5-12(14)9-15/h1,3-4,7,12,15H,2,5-6,8-9,13H2
InChIKeyXOXKEKZUIBRUOG-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
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

[(2R)-1-[(3-aminophenyl)methyl]pyrrolidin-2-yl]methanol;hydrochloride
CID 70142040
[(2S)-1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]methanol
CID 30979696
1-(3-aminophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol
CID 62264924
[1-[(3-amino-4-chlorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 61407185
3-[[2-(hydroxymethyl)azepan-1-yl]methyl]benzenecarbothioamide
CID 116634853
2-(3-aminophenyl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 62498208
N'-hydroxy-3-[[2-(hydroxymethyl)azepan-1-yl]methyl]benzenecarboximidamide
CID 116634961
3-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide
CID 112734019
methyl 3-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzoate
CID 62734235
3-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzohydrazide
CID 55214436
[(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 40542884
2-amino-4-[[2-(hydroxymethyl)piperidin-1-yl]methyl]phenol
CID 61406900

Frequently Asked Questions

What is the IUPAC name of [1-[(3-aminophenyl)methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[(3-aminophenyl)methyl]pyrrolidin-2-yl]methanol (CID 61407137) is [1-[(3-aminophenyl)methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[(3-aminophenyl)methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[(3-aminophenyl)methyl]pyrrolidin-2-yl]methanol is Nc1cccc(CN2CCCC2CO)c1.
What is the InChIKey of [1-[(3-aminophenyl)methyl]pyrrolidin-2-yl]methanol?
The InChIKey is XOXKEKZUIBRUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c13-11-4-1-3-10(7-11)8-14-6-2-5-12(14)9-15/h1,3-4,7,12,15H,2,5-6,8-9,13H2.
What are the key properties of [1-[(3-aminophenyl)methyl]pyrrolidin-2-yl]methanol?
[1-[(3-aminophenyl)methyl]pyrrolidin-2-yl]methanol has a molecular weight of 206.29 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-aminophenyl)methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 61407137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).