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

C17H25NO2 — CID 63713346

IUPAC2-[methyl(oxan-3-ylmethyl)amino]-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCN(CC1CCCOC1)C1CCc2ccccc2C1O
InChIInChI=1S/C17H25NO2/c1-18(11-13-5-4-10-20-12-13)16-9-8-14-6-2-3-7-15(14)17(16)19/h2-3,6-7,13,16-17,19H,4-5,8-12H2,1H3
InChIKeyBFAHGOLDJYJCMJ-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.39
Rot. Bonds3

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

2-[methyl(oxan-3-ylmethyl)amino]-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 63713346) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-[methyl(oxan-3-ylmethyl)amino]-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name2-[methyl(oxan-3-ylmethyl)amino]-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID63713346
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-[methyl(oxan-3-ylmethyl)amino]-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCN(CC1CCCOC1)C1CCc2ccccc2C1O
InChIInChI=1S/C17H25NO2/c1-18(11-13-5-4-10-20-12-13)16-9-8-14-6-2-3-7-15(14)17(16)19/h2-3,6-7,13,16-17,19H,4-5,8-12H2,1H3
InChIKeyBFAHGOLDJYJCMJ-UHFFFAOYSA-N
XLogP2.39
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-2-[methyl(oxan-3-ylmethyl)amino]-2,3-dihydro-1H-inden-1-ol
CID 79372390
N-methyl-N-(oxan-3-ylmethyl)-1,2,3,4-tetrahydroquinolin-3-amine
CID 63713437
3-[[(3S)-oxolan-3-yl]methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-1-ol
CID 97221692
4-[methyl(oxan-3-ylmethyl)amino]-1-phenylbutan-1-one
CID 63712078
(1R,2S)-2-[(dimethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 70291111
N-methyl-N-(oxan-3-ylmethyl)hydroxylamine
CID 82594564
2-[cyclobutylmethyl(methyl)amino]-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79248312
N,N-dimethyl-1-[(3R)-oxan-3-yl]methanamine
CID 175701227
3-[methyl(oxan-3-ylmethyl)amino]-2-phenylpropanoic acid
CID 63707876
6-N-methyl-6-N-(oxan-4-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine
CID 63727365
(3R,4R)-4-[methyl(oxolan-3-ylmethyl)amino]pyrrolidin-3-ol
CID 122236959
1-[2-[methyl(oxan-3-ylmethyl)amino]phenyl]ethanone
CID 63711171

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(oxan-3-ylmethyl)amino]-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 2-[methyl(oxan-3-ylmethyl)amino]-1,2,3,4-tetrahydronaphthalen-1-ol (CID 63713346) is 2-[methyl(oxan-3-ylmethyl)amino]-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 2-[methyl(oxan-3-ylmethyl)amino]-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 2-[methyl(oxan-3-ylmethyl)amino]-1,2,3,4-tetrahydronaphthalen-1-ol is CN(CC1CCCOC1)C1CCc2ccccc2C1O.
What is the InChIKey of 2-[methyl(oxan-3-ylmethyl)amino]-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is BFAHGOLDJYJCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-18(11-13-5-4-10-20-12-13)16-9-8-14-6-2-3-7-15(14)17(16)19/h2-3,6-7,13,16-17,19H,4-5,8-12H2,1H3.
What are the key properties of 2-[methyl(oxan-3-ylmethyl)amino]-1,2,3,4-tetrahydronaphthalen-1-ol?
2-[methyl(oxan-3-ylmethyl)amino]-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 275.39 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(oxan-3-ylmethyl)amino]-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 63713346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).