[1-(3-amino-5-methoxyphenyl)pyrrolidin-2-yl]methanol

C12H18N2O2 — CID 80731616

IUPAC[1-(3-amino-5-methoxyphenyl)pyrrolidin-2-yl]methanol
SMILESCOc1cc(N)cc(N2CCCC2CO)c1
InChIInChI=1S/C12H18N2O2/c1-16-12-6-9(13)5-11(7-12)14-4-2-3-10(14)8-15/h5-7,10,15H,2-4,8,13H2,1H3
InChIKeyLOKQIYPMJZSLHF-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.24
Rot. Bonds3

About [1-(3-amino-5-methoxyphenyl)pyrrolidin-2-yl]methanol

[1-(3-amino-5-methoxyphenyl)pyrrolidin-2-yl]methanol (PubChem CID 80731616) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is [1-(3-amino-5-methoxyphenyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(3-amino-5-methoxyphenyl)pyrrolidin-2-yl]methanol
PubChem CID80731616
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name[1-(3-amino-5-methoxyphenyl)pyrrolidin-2-yl]methanol
SMILESCOc1cc(N)cc(N2CCCC2CO)c1
InChIInChI=1S/C12H18N2O2/c1-16-12-6-9(13)5-11(7-12)14-4-2-3-10(14)8-15/h5-7,10,15H,2-4,8,13H2,1H3
InChIKeyLOKQIYPMJZSLHF-UHFFFAOYSA-N
XLogP1.24
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(3-amino-5-methoxyphenyl)piperidin-2-yl]ethanol
CID 80725887
3-(2-ethylpiperidin-1-yl)-5-methoxyaniline
CID 80721846
1-(3-amino-5-methoxyphenyl)piperidine-2-carboxamide
CID 80739485
[1-(3,4-dimethoxyphenyl)piperidin-2-yl]methanol
CID 117028012
[(2S)-1-(5-methoxy-2-pyridinyl)pyrrolidin-2-yl]methanol
CID 139294140
3-ethoxy-5-(2-ethylazepan-1-yl)aniline
CID 104688796
2-[1-(4-methoxyphenyl)pyrrolidin-2-yl]ethanol
CID 117028550
deuteriomethyl 2-[1-(3,5-dimethoxyphenyl)pyrrolidin-2-yl]acetate
CID 22827886
[1-(4-amino-2-methylphenyl)pyrrolidin-2-yl]methanol
CID 61410897
1-(3-amino-5-methoxyphenyl)piperidine-3-carboxamide
CID 80726633
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-ethoxyaniline
CID 80730850
[1-(4-amino-2-iodophenyl)pyrrolidin-2-yl]methanol
CID 66093339

Frequently Asked Questions

What is the IUPAC name of [1-(3-amino-5-methoxyphenyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-(3-amino-5-methoxyphenyl)pyrrolidin-2-yl]methanol (CID 80731616) is [1-(3-amino-5-methoxyphenyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(3-amino-5-methoxyphenyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(3-amino-5-methoxyphenyl)pyrrolidin-2-yl]methanol is COc1cc(N)cc(N2CCCC2CO)c1.
What is the InChIKey of [1-(3-amino-5-methoxyphenyl)pyrrolidin-2-yl]methanol?
The InChIKey is LOKQIYPMJZSLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-16-12-6-9(13)5-11(7-12)14-4-2-3-10(14)8-15/h5-7,10,15H,2-4,8,13H2,1H3.
What are the key properties of [1-(3-amino-5-methoxyphenyl)pyrrolidin-2-yl]methanol?
[1-(3-amino-5-methoxyphenyl)pyrrolidin-2-yl]methanol has a molecular weight of 222.29 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-amino-5-methoxyphenyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 80731616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).