1-(2,5-dimethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-amine

C18H21NO2 — CID 62800508

IUPAC1-(2,5-dimethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-amine
SMILESCOc1ccc(OC)c(C2(N)CCCc3ccccc32)c1
InChIInChI=1S/C18H21NO2/c1-20-14-9-10-17(21-2)16(12-14)18(19)11-5-7-13-6-3-4-8-15(13)18/h3-4,6,8-10,12H,5,7,11,19H2,1-2H3
InChIKeyIRWROVXJUUSGOY-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.24
Rot. Bonds3

About 1-(2,5-dimethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-amine

1-(2,5-dimethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-amine (PubChem CID 62800508) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-amine
PubChem CID62800508
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name1-(2,5-dimethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-amine
SMILESCOc1ccc(OC)c(C2(N)CCCc3ccccc32)c1
InChIInChI=1S/C18H21NO2/c1-20-14-9-10-17(21-2)16(12-14)18(19)11-5-7-13-6-3-4-8-15(13)18/h3-4,6,8-10,12H,5,7,11,19H2,1-2H3
InChIKeyIRWROVXJUUSGOY-UHFFFAOYSA-N
XLogP3.24
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxy-2-methylphenyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 65313131
1-(4-chloro-3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 79701029
1-(3-methoxyphenyl)-2,3-dihydroinden-1-amine
CID 54919051
6-methoxy-1-phenyl-2,3-dihydroinden-1-amine
CID 79374582
1-(2-fluorophenyl)-6-methoxy-2,3-dihydroinden-1-amine
CID 79375070
ethane;6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 143044836
1-(3-fluoro-4-methoxyphenyl)-6-methoxy-2,3-dihydroinden-1-amine
CID 79371978
1-(aminomethyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79248291
1-ethyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79240760
1-(3-fluoro-5-methylphenyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79696984
7-methoxy-1-[(2-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine
CID 79233838
1-(3-chlorothiophen-2-yl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 107359302

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-amine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-amine (CID 62800508) is 1-(2,5-dimethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-amine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-amine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-amine is COc1ccc(OC)c(C2(N)CCCc3ccccc32)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-amine?
The InChIKey is IRWROVXJUUSGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-20-14-9-10-17(21-2)16(12-14)18(19)11-5-7-13-6-3-4-8-15(13)18/h3-4,6,8-10,12H,5,7,11,19H2,1-2H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-amine?
1-(2,5-dimethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-amine has a molecular weight of 283.37 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-amine is sourced from PubChem (CID 62800508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).