3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3,4-dihydro-2H-chromen-4-ol

C17H26N2O2 — CID 79308794

IUPAC3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3,4-dihydro-2H-chromen-4-ol
SMILESCCN1CCCC1CN(C)C1COc2ccccc2C1O
InChIInChI=1S/C17H26N2O2/c1-3-19-10-6-7-13(19)11-18(2)15-12-21-16-9-5-4-8-14(16)17(15)20/h4-5,8-9,13,15,17,20H,3,6-7,10-12H2,1-2H3
InChIKeyPWKDKPOCIJQQSL-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.90
Rot. Bonds4

About 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3,4-dihydro-2H-chromen-4-ol

3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3,4-dihydro-2H-chromen-4-ol (PubChem CID 79308794) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3,4-dihydro-2H-chromen-4-ol
PubChem CID79308794
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3,4-dihydro-2H-chromen-4-ol
SMILESCCN1CCCC1CN(C)C1COc2ccccc2C1O
InChIInChI=1S/C17H26N2O2/c1-3-19-10-6-7-13(19)11-18(2)15-12-21-16-9-5-4-8-14(16)17(15)20/h4-5,8-9,13,15,17,20H,3,6-7,10-12H2,1-2H3
InChIKeyPWKDKPOCIJQQSL-UHFFFAOYSA-N
XLogP1.90
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl-(1-methylpiperidin-3-yl)amino]-3,4-dihydro-2H-chromen-4-ol
CID 62545588
2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine
CID 79313644
3-[methyl(2-phenylethyl)amino]-3,4-dihydro-2H-chromen-4-ol
CID 65486887
(1S)-1-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]phenyl]ethanol
CID 79319401
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 79311862
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzenesulfonamide
CID 79313037
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]benzoic acid
CID 79319788
1-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]phenyl]propan-1-one
CID 115994648
3-[(1-ethylpyrrolidin-2-yl)methylamino]-2,3-dihydro-1-benzofuran-6-ol
CID 43195906
1-[2-(dimethylamino)ethyl]-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-phenylurea
CID 94802947
2-[(1R)-1-aminopropyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylaniline
CID 103959014
3-(4-methylazepan-1-yl)-3,4-dihydro-2H-chromen-4-ol
CID 63622299

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3,4-dihydro-2H-chromen-4-ol (CID 79308794) is 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3,4-dihydro-2H-chromen-4-ol is CCN1CCCC1CN(C)C1COc2ccccc2C1O.
What is the InChIKey of 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is PWKDKPOCIJQQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-19-10-6-7-13(19)11-18(2)15-12-21-16-9-5-4-8-14(16)17(15)20/h4-5,8-9,13,15,17,20H,3,6-7,10-12H2,1-2H3.
What are the key properties of 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3,4-dihydro-2H-chromen-4-ol?
3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 290.41 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 79308794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).