4-methyl-N-[1-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine

C17H25NO — CID 81296486

IUPAC4-methyl-N-[1-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC1CCC(NC(C)C2CCCO2)c2ccccc21
InChIInChI=1S/C17H25NO/c1-12-9-10-16(15-7-4-3-6-14(12)15)18-13(2)17-8-5-11-19-17/h3-4,6-7,12-13,16-18H,5,8-11H2,1-2H3
InChIKeyQTJYFMKSJSWYAR-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.78
Rot. Bonds3

About 4-methyl-N-[1-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine

4-methyl-N-[1-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 81296486) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 4-methyl-N-[1-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name4-methyl-N-[1-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID81296486
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name4-methyl-N-[1-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC1CCC(NC(C)C2CCCO2)c2ccccc21
InChIInChI=1S/C17H25NO/c1-12-9-10-16(15-7-4-3-6-14(12)15)18-13(2)17-8-5-11-19-17/h3-4,6-7,12-13,16-18H,5,8-11H2,1-2H3
InChIKeyQTJYFMKSJSWYAR-UHFFFAOYSA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(oxolan-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 43208516
4-methyl-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81301517
1-[1-(oxolan-2-yl)ethylamino]-2,3-dihydro-1H-inden-4-ol
CID 43637115
4-methyl-N-(3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113305898
N-[1-(oxolan-2-yl)ethyl]-3-phenylcyclobutan-1-amine
CID 43632276
N-[1-(furan-2-yl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81302193
N-(3-ethylpentan-2-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418412
(3S)-3-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]amino]-1-phenylpyrrolidin-2-one
CID 99854367
4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418345
4-methyl-N-(1-pyridin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81301993
methyl (2S)-2-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanoate
CID 115418277
N-[(1R)-1-(4-bromophenyl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418510

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 4-methyl-N-[1-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 81296486) is 4-methyl-N-[1-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 4-methyl-N-[1-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 4-methyl-N-[1-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine is CC1CCC(NC(C)C2CCCO2)c2ccccc21.
What is the InChIKey of 4-methyl-N-[1-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is QTJYFMKSJSWYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-12-9-10-16(15-7-4-3-6-14(12)15)18-13(2)17-8-5-11-19-17/h3-4,6-7,12-13,16-18H,5,8-11H2,1-2H3.
What are the key properties of 4-methyl-N-[1-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
4-methyl-N-[1-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 259.39 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 81296486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).