1-(4-methoxy-2-methylphenyl)-3,4-dihydro-2H-naphthalen-1-amine

C18H21NO — CID 65313131

IUPAC1-(4-methoxy-2-methylphenyl)-3,4-dihydro-2H-naphthalen-1-amine
SMILESCOc1ccc(C2(N)CCCc3ccccc32)c(C)c1
InChIInChI=1S/C18H21NO/c1-13-12-15(20-2)9-10-16(13)18(19)11-5-7-14-6-3-4-8-17(14)18/h3-4,6,8-10,12H,5,7,11,19H2,1-2H3
InChIKeyVRZQDWWORHCDBH-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.54
Rot. Bonds2

About 1-(4-methoxy-2-methylphenyl)-3,4-dihydro-2H-naphthalen-1-amine

1-(4-methoxy-2-methylphenyl)-3,4-dihydro-2H-naphthalen-1-amine (PubChem CID 65313131) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(4-methoxy-2-methylphenyl)-3,4-dihydro-2H-naphthalen-1-amine.

Molecular Properties

Compound Name1-(4-methoxy-2-methylphenyl)-3,4-dihydro-2H-naphthalen-1-amine
PubChem CID65313131
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name1-(4-methoxy-2-methylphenyl)-3,4-dihydro-2H-naphthalen-1-amine
SMILESCOc1ccc(C2(N)CCCc3ccccc32)c(C)c1
InChIInChI=1S/C18H21NO/c1-13-12-15(20-2)9-10-16(13)18(19)11-5-7-14-6-3-4-8-17(14)18/h3-4,6,8-10,12H,5,7,11,19H2,1-2H3
InChIKeyVRZQDWWORHCDBH-UHFFFAOYSA-N
XLogP3.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 62800508
1-(3-methoxyphenyl)-2,3-dihydroinden-1-amine
CID 54919051
7-methoxy-1-[(2-methylphenyl)methyl]-3,4-dihydro-2H-naphthalen-1-amine
CID 79233838
6-methoxy-1-phenyl-2,3-dihydroinden-1-amine
CID 79374582
1-(2-fluorophenyl)-6-methoxy-2,3-dihydroinden-1-amine
CID 79375070
1-(4-chloro-3-methoxyphenyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 79701029
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
1-[(2-fluorophenyl)methyl]-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79233836
5-(4-methylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 54919324
7-methoxy-4-methyl-4-phenyl-2,3-dihydro-1H-naphthalene
CID 102291297

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methylphenyl)-3,4-dihydro-2H-naphthalen-1-amine?
The IUPAC name of 1-(4-methoxy-2-methylphenyl)-3,4-dihydro-2H-naphthalen-1-amine (CID 65313131) is 1-(4-methoxy-2-methylphenyl)-3,4-dihydro-2H-naphthalen-1-amine.
What is the SMILES notation for 1-(4-methoxy-2-methylphenyl)-3,4-dihydro-2H-naphthalen-1-amine?
The canonical SMILES for 1-(4-methoxy-2-methylphenyl)-3,4-dihydro-2H-naphthalen-1-amine is COc1ccc(C2(N)CCCc3ccccc32)c(C)c1.
What is the InChIKey of 1-(4-methoxy-2-methylphenyl)-3,4-dihydro-2H-naphthalen-1-amine?
The InChIKey is VRZQDWWORHCDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-13-12-15(20-2)9-10-16(13)18(19)11-5-7-14-6-3-4-8-17(14)18/h3-4,6,8-10,12H,5,7,11,19H2,1-2H3.
What are the key properties of 1-(4-methoxy-2-methylphenyl)-3,4-dihydro-2H-naphthalen-1-amine?
1-(4-methoxy-2-methylphenyl)-3,4-dihydro-2H-naphthalen-1-amine has a molecular weight of 267.37 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-methylphenyl)-3,4-dihydro-2H-naphthalen-1-amine is sourced from PubChem (CID 65313131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).