1-(2-ethoxyphenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanol

C17H28N2O2 — CID 63273824

IUPAC1-(2-ethoxyphenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanol
SMILESCCOc1ccccc1C(O)CN(C)CC1CCN(C)C1
InChIInChI=1S/C17H28N2O2/c1-4-21-17-8-6-5-7-15(17)16(20)13-19(3)12-14-9-10-18(2)11-14/h5-8,14,16,20H,4,9-13H2,1-3H3
InChIKeyCDLLXUJOJCGBBL-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.00
Rot. Bonds7

About 1-(2-ethoxyphenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanol

1-(2-ethoxyphenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanol (PubChem CID 63273824) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanol
PubChem CID63273824
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-(2-ethoxyphenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanol
SMILESCCOc1ccccc1C(O)CN(C)CC1CCN(C)C1
InChIInChI=1S/C17H28N2O2/c1-4-21-17-8-6-5-7-15(17)16(20)13-19(3)12-14-9-10-18(2)11-14/h5-8,14,16,20H,4,9-13H2,1-3H3
InChIKeyCDLLXUJOJCGBBL-UHFFFAOYSA-N
XLogP2.00
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanol
CID 63712480
1-(2-fluorophenyl)-2-[methyl-[(1-methylpiperidin-3-yl)methyl]amino]ethanol
CID 111456975
2-[2-(dimethylamino)ethyl-methylamino]-1-(2-ethoxyphenyl)ethanol
CID 55228321
1-(2,5-dimethylphenyl)-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethanol
CID 63236873
N'-(cyclopentylmethyl)-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine
CID 63632634
3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-phenylpropanoic acid
CID 63275293
1-(2-ethoxyphenyl)-2-[methyl(oxolan-3-yl)amino]ethanol
CID 82748181
2-(2-ethoxyphenyl)-2-(1-methylpiperidin-4-yl)ethanamine
CID 83974398
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-phenylbutan-1-ol
CID 63273656
2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenol
CID 82980533
2-ethoxy-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 63276105
2,2-dimethoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
CID 66220841

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanol?
The IUPAC name of 1-(2-ethoxyphenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanol (CID 63273824) is 1-(2-ethoxyphenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanol.
What is the SMILES notation for 1-(2-ethoxyphenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanol?
The canonical SMILES for 1-(2-ethoxyphenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanol is CCOc1ccccc1C(O)CN(C)CC1CCN(C)C1.
What is the InChIKey of 1-(2-ethoxyphenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanol?
The InChIKey is CDLLXUJOJCGBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-21-17-8-6-5-7-15(17)16(20)13-19(3)12-14-9-10-18(2)11-14/h5-8,14,16,20H,4,9-13H2,1-3H3.
What are the key properties of 1-(2-ethoxyphenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanol?
1-(2-ethoxyphenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanol has a molecular weight of 292.42 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanol is sourced from PubChem (CID 63273824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).