1-(3,4-dimethylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanol

C17H28N2O — CID 63210893

IUPAC1-(3,4-dimethylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanol
SMILESCc1ccc(C(O)CN(C)CCN2CCCC2)cc1C
InChIInChI=1S/C17H28N2O/c1-14-6-7-16(12-15(14)2)17(20)13-18(3)10-11-19-8-4-5-9-19/h6-7,12,17,20H,4-5,8-11,13H2,1-3H3
InChIKeyOFKBNOSGMOUDTB-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.36
Rot. Bonds6

About 1-(3,4-dimethylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanol

1-(3,4-dimethylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanol (PubChem CID 63210893) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanol.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanol
PubChem CID63210893
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-(3,4-dimethylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanol
SMILESCc1ccc(C(O)CN(C)CCN2CCCC2)cc1C
InChIInChI=1S/C17H28N2O/c1-14-6-7-16(12-15(14)2)17(20)13-18(3)10-11-19-8-4-5-9-19/h6-7,12,17,20H,4-5,8-11,13H2,1-3H3
InChIKeyOFKBNOSGMOUDTB-UHFFFAOYSA-N
XLogP2.36
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-dimethylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanol with MolForge

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Related Compounds

4-[1-hydroxy-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]benzenecarbothioamide
CID 63207806
1-(3,4-dimethylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanone
CID 63207519
1-(4-bromophenyl)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol
CID 63211396
(1S)-1-(3-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 70250173
3-(azepan-1-yl)-1-(3,4-dimethylphenyl)propan-1-amine
CID 82021669
3-(azepan-1-yl)-1-(4-chloro-3-methylphenyl)propan-1-ol
CID 82074595
N-ethyl-N'-methyl-1-(4-methylphenyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63206960
1-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-2-ol
CID 63207611
1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine
CID 63207042
1-(4-fluoro-3-methylphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanol
CID 82216731
(2R)-1-[4-[(2S)-2-(3,4-dimethylphenyl)-2-hydroxyethyl]piperazin-1-yl]propan-2-ol
CID 95610555
1-(4-methoxyphenyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63206777

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanol?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanol (CID 63210893) is 1-(3,4-dimethylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanol.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanol?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanol is Cc1ccc(C(O)CN(C)CCN2CCCC2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanol?
The InChIKey is OFKBNOSGMOUDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14-6-7-16(12-15(14)2)17(20)13-18(3)10-11-19-8-4-5-9-19/h6-7,12,17,20H,4-5,8-11,13H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanol?
1-(3,4-dimethylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanol has a molecular weight of 276.42 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethanol is sourced from PubChem (CID 63210893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).