2-(3,3-diethylpyrrolidin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol

C19H29NO — CID 115420119

IUPAC2-(3,3-diethylpyrrolidin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCCC1(CC)CCN(C2CC(C)c3ccccc3C2O)C1
InChIInChI=1S/C19H29NO/c1-4-19(5-2)10-11-20(13-19)17-12-14(3)15-8-6-7-9-16(15)18(17)21/h6-9,14,17-18,21H,4-5,10-13H2,1-3H3
InChIKeyLFVSKXMHCSWXAC-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.11
Rot. Bonds3

About 2-(3,3-diethylpyrrolidin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol

2-(3,3-diethylpyrrolidin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 115420119) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-(3,3-diethylpyrrolidin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name2-(3,3-diethylpyrrolidin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID115420119
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name2-(3,3-diethylpyrrolidin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCCC1(CC)CCN(C2CC(C)c3ccccc3C2O)C1
InChIInChI=1S/C19H29NO/c1-4-19(5-2)10-11-20(13-19)17-12-14(3)15-8-6-7-9-16(15)18(17)21/h6-9,14,17-18,21H,4-5,10-13H2,1-3H3
InChIKeyLFVSKXMHCSWXAC-UHFFFAOYSA-N
XLogP4.11
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,2-dimethylmorpholin-4-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115420017
2-(4-ethylazepan-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115420102
2-(4-methoxypiperidin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115420002
4-methyl-2-(3-methylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115419975
2-(3-methoxypiperidin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 102966127
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115420107
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115420132
2-[ethyl(methyl)amino]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115419992
(1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-ol
CID 640582
4-(3,3-diethylpyrrolidin-1-yl)cyclohexan-1-ol
CID 114762652
(3S)-1,3-dimethyl-2,3-dihydro-1H-indene
CID 143951833
N-ethyl-4-methyl-2-(3-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418929

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-diethylpyrrolidin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 2-(3,3-diethylpyrrolidin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol (CID 115420119) is 2-(3,3-diethylpyrrolidin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 2-(3,3-diethylpyrrolidin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 2-(3,3-diethylpyrrolidin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol is CCC1(CC)CCN(C2CC(C)c3ccccc3C2O)C1.
What is the InChIKey of 2-(3,3-diethylpyrrolidin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is LFVSKXMHCSWXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-4-19(5-2)10-11-20(13-19)17-12-14(3)15-8-6-7-9-16(15)18(17)21/h6-9,14,17-18,21H,4-5,10-13H2,1-3H3.
What are the key properties of 2-(3,3-diethylpyrrolidin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol?
2-(3,3-diethylpyrrolidin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 287.45 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-diethylpyrrolidin-1-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 115420119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).