1-amino-3-(3,4-dimethoxypyrrolidin-1-yl)-2-phenylpropan-2-ol

C15H24N2O3 — CID 103540867

IUPAC1-amino-3-(3,4-dimethoxypyrrolidin-1-yl)-2-phenylpropan-2-ol
SMILESCOC1CN(CC(O)(CN)c2ccccc2)CC1OC
InChIInChI=1S/C15H24N2O3/c1-19-13-8-17(9-14(13)20-2)11-15(18,10-16)12-6-4-3-5-7-12/h3-7,13-14,18H,8-11,16H2,1-2H3
InChIKeyFGNWTPFSSALJGW-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.18
Rot. Bonds6

About 1-amino-3-(3,4-dimethoxypyrrolidin-1-yl)-2-phenylpropan-2-ol

1-amino-3-(3,4-dimethoxypyrrolidin-1-yl)-2-phenylpropan-2-ol (PubChem CID 103540867) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-amino-3-(3,4-dimethoxypyrrolidin-1-yl)-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-(3,4-dimethoxypyrrolidin-1-yl)-2-phenylpropan-2-ol
PubChem CID103540867
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-amino-3-(3,4-dimethoxypyrrolidin-1-yl)-2-phenylpropan-2-ol
SMILESCOC1CN(CC(O)(CN)c2ccccc2)CC1OC
InChIInChI=1S/C15H24N2O3/c1-19-13-8-17(9-14(13)20-2)11-15(18,10-16)12-6-4-3-5-7-12/h3-7,13-14,18H,8-11,16H2,1-2H3
InChIKeyFGNWTPFSSALJGW-UHFFFAOYSA-N
XLogP0.18
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-Phenylpyrrolidin-3-ol hydrochloride
CID 200280
1-Phenyl-2-(3-propan-2-yloxypropylamino)ethanol
CID 4355706
3-Phenylpyrrolidin-3-ol
CID 200281
3-(4-Methylphenyl)pyrrolidin-3-ol hydrochloride
CID 3051402
2-Methyl-3-phenylpyrrolidin-3-ol--hydrogen chloride (1/1)
CID 3051393
3-Pyrrolidinol, 2,5-dimethyl-3-phenyl-, hydrochloride
CID 3051569
1-Phenyl-2-pyrrolidin-1-ylethanol
CID 221213
alpha-Phenyl-beta-propyl-1-pyrrolidineethanol
CID 101616949
Benzyl alcohol, alpha-((2-(1-pyrrolidinyl)ethoxy)methyl)-
CID 13080
Benzyl alcohol, alpha-((2-(1-pyrrolidinyl)ethoxy)methyl)-, hydrochloride
CID 13724
3-Pyrrolidinol, 5-isopropyl-3-phenyl-, hydrochloride
CID 3051383
5-Methyl-3-phenylpyrrolidin-3-ol--hydrogen chloride (1/1)
CID 3051394

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3,4-dimethoxypyrrolidin-1-yl)-2-phenylpropan-2-ol?
The IUPAC name of 1-amino-3-(3,4-dimethoxypyrrolidin-1-yl)-2-phenylpropan-2-ol (CID 103540867) is 1-amino-3-(3,4-dimethoxypyrrolidin-1-yl)-2-phenylpropan-2-ol.
What is the SMILES notation for 1-amino-3-(3,4-dimethoxypyrrolidin-1-yl)-2-phenylpropan-2-ol?
The canonical SMILES for 1-amino-3-(3,4-dimethoxypyrrolidin-1-yl)-2-phenylpropan-2-ol is COC1CN(CC(O)(CN)c2ccccc2)CC1OC.
What is the InChIKey of 1-amino-3-(3,4-dimethoxypyrrolidin-1-yl)-2-phenylpropan-2-ol?
The InChIKey is FGNWTPFSSALJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-19-13-8-17(9-14(13)20-2)11-15(18,10-16)12-6-4-3-5-7-12/h3-7,13-14,18H,8-11,16H2,1-2H3.
What are the key properties of 1-amino-3-(3,4-dimethoxypyrrolidin-1-yl)-2-phenylpropan-2-ol?
1-amino-3-(3,4-dimethoxypyrrolidin-1-yl)-2-phenylpropan-2-ol has a molecular weight of 280.37 g/mol, XLogP of 0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3,4-dimethoxypyrrolidin-1-yl)-2-phenylpropan-2-ol is sourced from PubChem (CID 103540867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).