2-(7-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N-methylethanamine

C16H25NO — CID 84632926

IUPAC2-(7-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N-methylethanamine
SMILESCNCCC1CCC(C)(C)c2ccc(OC)cc21
InChIInChI=1S/C16H25NO/c1-16(2)9-7-12(8-10-17-3)14-11-13(18-4)5-6-15(14)16/h5-6,11-12,17H,7-10H2,1-4H3
InChIKeyBWQLBHXGFWQPJB-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.46
Rot. Bonds4

About 2-(7-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N-methylethanamine

2-(7-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N-methylethanamine (PubChem CID 84632926) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-(7-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(7-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N-methylethanamine
PubChem CID84632926
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-(7-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N-methylethanamine
SMILESCNCCC1CCC(C)(C)c2ccc(OC)cc21
InChIInChI=1S/C16H25NO/c1-16(2)9-7-12(8-10-17-3)14-11-13(18-4)5-6-15(14)16/h5-6,11-12,17H,7-10H2,1-4H3
InChIKeyBWQLBHXGFWQPJB-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-(4,4,7-trimethyl-2,3-dihydro-1H-naphthalen-1-yl)ethanamine
CID 84626740
2-(6-methoxy-1,8-dimethyl-3,4-dihydro-2H-quinolin-4-yl)-N-methylethanamine
CID 84633229
2-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-N-methylethanamine
CID 117202601
N-ethyl-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-amine
CID 79838612
3-(5-methoxy-1-methyl-2,3-dihydroindol-3-yl)-N-methylpropan-1-amine
CID 117202519
(1S)-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-ol
CID 79837765
2-(7-tert-butyl-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)ethanamine
CID 84637960
6-methoxy-3,3-dimethyl-1,2-dihydroindene
CID 22152285
N-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]-2-oxopropanamide
CID 142703369
N-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]-2-methylpropanamide
CID 54317020
N'-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-N,N'-dimethylethane-1,2-diamine
CID 79374274
2-[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethanamine
CID 10900371

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N-methylethanamine?
The IUPAC name of 2-(7-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N-methylethanamine (CID 84632926) is 2-(7-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N-methylethanamine.
What is the SMILES notation for 2-(7-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N-methylethanamine?
The canonical SMILES for 2-(7-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N-methylethanamine is CNCCC1CCC(C)(C)c2ccc(OC)cc21.
What is the InChIKey of 2-(7-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N-methylethanamine?
The InChIKey is BWQLBHXGFWQPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-16(2)9-7-12(8-10-17-3)14-11-13(18-4)5-6-15(14)16/h5-6,11-12,17H,7-10H2,1-4H3.
What are the key properties of 2-(7-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N-methylethanamine?
2-(7-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N-methylethanamine has a molecular weight of 247.38 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-N-methylethanamine is sourced from PubChem (CID 84632926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).