4-methyl-2-[methyl(pyridin-4-ylmethyl)amino]-1,2,3,4-tetrahydronaphthalen-1-ol

C18H22N2O — CID 115420013

IUPAC4-methyl-2-[methyl(pyridin-4-ylmethyl)amino]-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCC1CC(N(C)Cc2ccncc2)C(O)c2ccccc21
InChIInChI=1S/C18H22N2O/c1-13-11-17(18(21)16-6-4-3-5-15(13)16)20(2)12-14-7-9-19-10-8-14/h3-10,13,17-18,21H,11-12H2,1-2H3
InChIKeyDQLASADVECBZJZ-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.12
Rot. Bonds3

About 4-methyl-2-[methyl(pyridin-4-ylmethyl)amino]-1,2,3,4-tetrahydronaphthalen-1-ol

4-methyl-2-[methyl(pyridin-4-ylmethyl)amino]-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 115420013) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-methyl-2-[methyl(pyridin-4-ylmethyl)amino]-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name4-methyl-2-[methyl(pyridin-4-ylmethyl)amino]-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID115420013
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name4-methyl-2-[methyl(pyridin-4-ylmethyl)amino]-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCC1CC(N(C)Cc2ccncc2)C(O)c2ccccc21
InChIInChI=1S/C18H22N2O/c1-13-11-17(18(21)16-6-4-3-5-15(13)16)20(2)12-14-7-9-19-10-8-14/h3-10,13,17-18,21H,11-12H2,1-2H3
InChIKeyDQLASADVECBZJZ-UHFFFAOYSA-N
XLogP3.12
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115420047
2-[ethyl(methyl)amino]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115419992
4-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115419981
2-[cyclopropyl(propyl)amino]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115419999
2-N,4-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 115418953
2-[ethyl(oxolan-2-ylmethyl)amino]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115420032
(1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-ol
CID 640582
(3S)-1,3-dimethyl-2,3-dihydro-1H-indene
CID 143951833
2-[butan-2-yl(2-methoxyethyl)amino]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115420046
N-methyl-N-(pyridin-4-ylmethyl)azetidin-3-amine
CID 62786509
trans-(1R,2R)-2-[ethyl(pyridin-4-ylmethyl)amino]cyclopentan-1-ol
CID 102734522
[2-[methyl(pyridin-4-ylmethyl)amino]pyrimidin-5-yl]methanol
CID 113387821

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[methyl(pyridin-4-ylmethyl)amino]-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 4-methyl-2-[methyl(pyridin-4-ylmethyl)amino]-1,2,3,4-tetrahydronaphthalen-1-ol (CID 115420013) is 4-methyl-2-[methyl(pyridin-4-ylmethyl)amino]-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 4-methyl-2-[methyl(pyridin-4-ylmethyl)amino]-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 4-methyl-2-[methyl(pyridin-4-ylmethyl)amino]-1,2,3,4-tetrahydronaphthalen-1-ol is CC1CC(N(C)Cc2ccncc2)C(O)c2ccccc21.
What is the InChIKey of 4-methyl-2-[methyl(pyridin-4-ylmethyl)amino]-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is DQLASADVECBZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13-11-17(18(21)16-6-4-3-5-15(13)16)20(2)12-14-7-9-19-10-8-14/h3-10,13,17-18,21H,11-12H2,1-2H3.
What are the key properties of 4-methyl-2-[methyl(pyridin-4-ylmethyl)amino]-1,2,3,4-tetrahydronaphthalen-1-ol?
4-methyl-2-[methyl(pyridin-4-ylmethyl)amino]-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 282.39 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[methyl(pyridin-4-ylmethyl)amino]-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 115420013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).