1-(3-aminophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanol

C14H22N2O3 — CID 103530992

IUPAC1-(3-aminophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanol
SMILESCOC1CN(CC(O)c2cccc(N)c2)CC1OC
InChIInChI=1S/C14H22N2O3/c1-18-13-8-16(9-14(13)19-2)7-12(17)10-4-3-5-11(15)6-10/h3-6,12-14,17H,7-9,15H2,1-2H3
InChIKeyJFPZIOHFVSCOHX-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.65
Rot. Bonds5

About 1-(3-aminophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanol

1-(3-aminophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanol (PubChem CID 103530992) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(3-aminophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanol.

Molecular Properties

Compound Name1-(3-aminophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanol
PubChem CID103530992
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-(3-aminophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanol
SMILESCOC1CN(CC(O)c2cccc(N)c2)CC1OC
InChIInChI=1S/C14H22N2O3/c1-18-13-8-16(9-14(13)19-2)7-12(17)10-4-3-5-11(15)6-10/h3-6,12-14,17H,7-9,15H2,1-2H3
InChIKeyJFPZIOHFVSCOHX-UHFFFAOYSA-N
XLogP0.65
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-aminophenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 62264397
1-(3-aminophenyl)-2-(3-ethylpiperidin-1-yl)ethanol
CID 62265432
8-[2-(3-aminophenyl)-2-hydroxyethyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63764292
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(3-aminophenyl)ethanol
CID 79940161
4-[2-(3-aminophenyl)-2-hydroxyethyl]-1-methyl-1,4-diazepan-2-one
CID 102888462
1-(3-aminophenyl)-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanol
CID 81199297
2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2,4-dimethylphenyl)ethanol
CID 103537734
1-[2-(3-aminophenyl)-2-hydroxyethyl]-4-ethylpiperazine-2,3-dione
CID 62266993
1-(3-methoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanol
CID 103536862
2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]azetidin-3-yl]propanoic acid
CID 116684103
1-(3-aminophenyl)-4-methoxy-4-methylpentan-1-ol
CID 106695946
1-(3-aminophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)ethanol
CID 55055399

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanol?
The IUPAC name of 1-(3-aminophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanol (CID 103530992) is 1-(3-aminophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanol.
What is the SMILES notation for 1-(3-aminophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanol?
The canonical SMILES for 1-(3-aminophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanol is COC1CN(CC(O)c2cccc(N)c2)CC1OC.
What is the InChIKey of 1-(3-aminophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanol?
The InChIKey is JFPZIOHFVSCOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-18-13-8-16(9-14(13)19-2)7-12(17)10-4-3-5-11(15)6-10/h3-6,12-14,17H,7-9,15H2,1-2H3.
What are the key properties of 1-(3-aminophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanol?
1-(3-aminophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanol has a molecular weight of 266.34 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanol is sourced from PubChem (CID 103530992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).