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

C17H25NO — CID 81297954

IUPAC4-methyl-N-[2-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC1CCC(NCCC2CCCO2)c2ccccc21
InChIInChI=1S/C17H25NO/c1-13-8-9-17(16-7-3-2-6-15(13)16)18-11-10-14-5-4-12-19-14/h2-3,6-7,13-14,17-18H,4-5,8-12H2,1H3
InChIKeyBJMWIOSMVPULFF-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.78
Rot. Bonds4

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

4-methyl-N-[2-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 81297954) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 4-methyl-N-[2-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name4-methyl-N-[2-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID81297954
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name4-methyl-N-[2-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC1CCC(NCCC2CCCO2)c2ccccc21
InChIInChI=1S/C17H25NO/c1-13-8-9-17(16-7-3-2-6-15(13)16)18-11-10-14-5-4-12-19-14/h2-3,6-7,13-14,17-18H,4-5,8-12H2,1H3
InChIKeyBJMWIOSMVPULFF-UHFFFAOYSA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(oxolan-2-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 54917499
N-(2-methoxyethyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81301213
8-bromo-N-[2-(oxolan-2-yl)ethyl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 61039503
4-methyl-N-(4-methylpentyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418329
4-methyl-N-[1-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81296486
N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 115418093
1-[2-(oxolan-2-yl)ethylamino]-2,3-dihydro-1H-inden-5-ol
CID 107682224
4-methyl-N-(2-prop-2-ynylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113348664
N-ethyl-1-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-2H-quinolin-4-amine
CID 65159657
(1S)-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine
CID 65163698
N-[2-(2-methylphenyl)ethyl]-2-(oxolan-2-yl)ethanamine
CID 79763588
4-methyl-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81301517

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 4-methyl-N-[2-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 81297954) is 4-methyl-N-[2-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 4-methyl-N-[2-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 4-methyl-N-[2-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine is CC1CCC(NCCC2CCCO2)c2ccccc21.
What is the InChIKey of 4-methyl-N-[2-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is BJMWIOSMVPULFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-13-8-9-17(16-7-3-2-6-15(13)16)18-11-10-14-5-4-12-19-14/h2-3,6-7,13-14,17-18H,4-5,8-12H2,1H3.
What are the key properties of 4-methyl-N-[2-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
4-methyl-N-[2-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 259.39 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 81297954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).