N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2,2-dimethyloxan-4-amine

C18H27NO2 — CID 83035402

IUPACN-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2,2-dimethyloxan-4-amine
SMILESCOc1ccc2c(c1)C(NC1CCOC(C)(C)C1)CCC2
InChIInChI=1S/C18H27NO2/c1-18(2)12-14(9-10-21-18)19-17-6-4-5-13-7-8-15(20-3)11-16(13)17/h7-8,11,14,17,19H,4-6,9-10,12H2,1-3H3
InChIKeyVJIKUEOYYOKYDG-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.62
Rot. Bonds3

About N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2,2-dimethyloxan-4-amine

N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2,2-dimethyloxan-4-amine (PubChem CID 83035402) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2,2-dimethyloxan-4-amine.

Molecular Properties

Compound NameN-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2,2-dimethyloxan-4-amine
PubChem CID83035402
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2,2-dimethyloxan-4-amine
SMILESCOc1ccc2c(c1)C(NC1CCOC(C)(C)C1)CCC2
InChIInChI=1S/C18H27NO2/c1-18(2)12-14(9-10-21-18)19-17-6-4-5-13-7-8-15(20-3)11-16(13)17/h7-8,11,14,17,19H,4-6,9-10,12H2,1-3H3
InChIKeyVJIKUEOYYOKYDG-UHFFFAOYSA-N
XLogP3.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclobutyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79239587
N-cyclohexyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79239408
(5R,9R)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 129425296
N-cyclopropyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366110
6-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)-2,3-dihydro-1H-inden-1-amine
CID 79374307
7-methoxy-N-[(1-methylcyclobutyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103903212
N-(2,4-dimethylcyclohexyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79232396
6-methoxy-N-(3-methoxycyclobutyl)-2,3-dihydro-1H-inden-1-amine
CID 104584581
6-methoxy-N-(3-methoxycyclopentyl)-2,3-dihydro-1H-inden-1-amine
CID 103082978
N-cyclohex-3-en-1-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79367336
N-(3-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79239496
N-(2,3-dihydro-1H-inden-1-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79369352

Frequently Asked Questions

What is the IUPAC name of N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2,2-dimethyloxan-4-amine?
The IUPAC name of N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2,2-dimethyloxan-4-amine (CID 83035402) is N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2,2-dimethyloxan-4-amine.
What is the SMILES notation for N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2,2-dimethyloxan-4-amine?
The canonical SMILES for N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2,2-dimethyloxan-4-amine is COc1ccc2c(c1)C(NC1CCOC(C)(C)C1)CCC2.
What is the InChIKey of N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2,2-dimethyloxan-4-amine?
The InChIKey is VJIKUEOYYOKYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-18(2)12-14(9-10-21-18)19-17-6-4-5-13-7-8-15(20-3)11-16(13)17/h7-8,11,14,17,19H,4-6,9-10,12H2,1-3H3.
What are the key properties of N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2,2-dimethyloxan-4-amine?
N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2,2-dimethyloxan-4-amine has a molecular weight of 289.42 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2,2-dimethyloxan-4-amine is sourced from PubChem (CID 83035402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).