N-methyl-1-naphthalen-2-yl-2-(oxolan-2-yl)ethanamine

C17H21NO — CID 55104166

IUPACN-methyl-1-naphthalen-2-yl-2-(oxolan-2-yl)ethanamine
SMILESCNC(CC1CCCO1)c1ccc2ccccc2c1
InChIInChI=1S/C17H21NO/c1-18-17(12-16-7-4-10-19-16)15-9-8-13-5-2-3-6-14(13)11-15/h2-3,5-6,8-9,11,16-18H,4,7,10,12H2,1H3
InChIKeyHGNGRANMCHXOLT-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.67
Rot. Bonds4

About N-methyl-1-naphthalen-2-yl-2-(oxolan-2-yl)ethanamine

N-methyl-1-naphthalen-2-yl-2-(oxolan-2-yl)ethanamine (PubChem CID 55104166) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-methyl-1-naphthalen-2-yl-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-naphthalen-2-yl-2-(oxolan-2-yl)ethanamine
PubChem CID55104166
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-methyl-1-naphthalen-2-yl-2-(oxolan-2-yl)ethanamine
SMILESCNC(CC1CCCO1)c1ccc2ccccc2c1
InChIInChI=1S/C17H21NO/c1-18-17(12-16-7-4-10-19-16)15-9-8-13-5-2-3-6-14(13)11-15/h2-3,5-6,8-9,11,16-18H,4,7,10,12H2,1H3
InChIKeyHGNGRANMCHXOLT-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzofuran-2-yl)-N-methyl-2-(oxolan-2-yl)ethanamine
CID 55180087
1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-(oxolan-2-yl)ethanamine
CID 62797333
N-methyl-2-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 62791871
N-methyl-1-naphthalen-2-yl-1-(oxolan-2-yl)methanamine
CID 65328741
1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methyl-2-(oxolan-2-yl)ethanamine
CID 65156251
1-(3,4-dimethylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine
CID 62550458
N-ethyl-1-naphthalen-2-yl-2-(oxolan-3-yl)ethanamine
CID 103987345
N-(2-amino-1-naphthalen-2-ylethyl)-2-(oxolan-2-yl)acetamide;hydrochloride
CID 120567600
N-methyl-2-(oxolan-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 62800663
N-methyl-4-(oxolan-2-yl)-1-quinolin-6-ylbutan-1-amine
CID 65164208
N-methyl-1-(4-methyl-3-pyridinyl)-2-(oxolan-2-yl)ethanamine
CID 66272484
N-methyl-3-(oxolan-2-yl)-1-quinolin-3-ylpropan-1-amine
CID 115797860

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-naphthalen-2-yl-2-(oxolan-2-yl)ethanamine?
The IUPAC name of N-methyl-1-naphthalen-2-yl-2-(oxolan-2-yl)ethanamine (CID 55104166) is N-methyl-1-naphthalen-2-yl-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-methyl-1-naphthalen-2-yl-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-methyl-1-naphthalen-2-yl-2-(oxolan-2-yl)ethanamine is CNC(CC1CCCO1)c1ccc2ccccc2c1.
What is the InChIKey of N-methyl-1-naphthalen-2-yl-2-(oxolan-2-yl)ethanamine?
The InChIKey is HGNGRANMCHXOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-18-17(12-16-7-4-10-19-16)15-9-8-13-5-2-3-6-14(13)11-15/h2-3,5-6,8-9,11,16-18H,4,7,10,12H2,1H3.
What are the key properties of N-methyl-1-naphthalen-2-yl-2-(oxolan-2-yl)ethanamine?
N-methyl-1-naphthalen-2-yl-2-(oxolan-2-yl)ethanamine has a molecular weight of 255.36 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-naphthalen-2-yl-2-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 55104166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).