1-methoxy-6-[2-(4-methoxyphenyl)phenyl]-N,N,1-trimethyl-3,4-dihydro-2H-naphthalen-2-amine

C27H31NO2 — CID 152536949

IUPAC1-methoxy-6-[2-(4-methoxyphenyl)phenyl]-N,N,1-trimethyl-3,4-dihydro-2H-naphthalen-2-amine
SMILESCOc1ccc(-c2ccccc2-c2ccc3c(c2)CCC(N(C)C)C3(C)OC)cc1
InChIInChI=1S/C27H31NO2/c1-27(30-5)25-16-12-20(18-21(25)13-17-26(27)28(2)3)24-9-7-6-8-23(24)19-10-14-22(29-4)15-11-19/h6-12,14-16,18,26H,13,17H2,1-5H3
InChIKeyYKSUEXKCAGBWDB-UHFFFAOYSA-N
MW401.55 g/mol
LogP5.77
Rot. Bonds5

About 1-methoxy-6-[2-(4-methoxyphenyl)phenyl]-N,N,1-trimethyl-3,4-dihydro-2H-naphthalen-2-amine

1-methoxy-6-[2-(4-methoxyphenyl)phenyl]-N,N,1-trimethyl-3,4-dihydro-2H-naphthalen-2-amine (PubChem CID 152536949) has the molecular formula C27H31NO2 and a molecular weight of 401.55 g/mol. Its IUPAC name is 1-methoxy-6-[2-(4-methoxyphenyl)phenyl]-N,N,1-trimethyl-3,4-dihydro-2H-naphthalen-2-amine.

Molecular Properties

Compound Name1-methoxy-6-[2-(4-methoxyphenyl)phenyl]-N,N,1-trimethyl-3,4-dihydro-2H-naphthalen-2-amine
PubChem CID152536949
Molecular FormulaC27H31NO2
Molecular Weight401.55 g/mol
Exact Mass401.24
IUPAC Name1-methoxy-6-[2-(4-methoxyphenyl)phenyl]-N,N,1-trimethyl-3,4-dihydro-2H-naphthalen-2-amine
SMILESCOc1ccc(-c2ccccc2-c2ccc3c(c2)CCC(N(C)C)C3(C)OC)cc1
InChIInChI=1S/C27H31NO2/c1-27(30-5)25-16-12-20(18-21(25)13-17-26(27)28(2)3)24-9-7-6-8-23(24)19-10-14-22(29-4)15-11-19/h6-12,14-16,18,26H,13,17H2,1-5H3
InChIKeyYKSUEXKCAGBWDB-UHFFFAOYSA-N
XLogP5.77
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.55
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-6-[2-(4-methoxyphenyl)phenyl]-N,N,1-trimethyl-3,4-dihydro-2H-naphthalen-2-amine?
The IUPAC name of 1-methoxy-6-[2-(4-methoxyphenyl)phenyl]-N,N,1-trimethyl-3,4-dihydro-2H-naphthalen-2-amine (CID 152536949) is 1-methoxy-6-[2-(4-methoxyphenyl)phenyl]-N,N,1-trimethyl-3,4-dihydro-2H-naphthalen-2-amine.
What is the SMILES notation for 1-methoxy-6-[2-(4-methoxyphenyl)phenyl]-N,N,1-trimethyl-3,4-dihydro-2H-naphthalen-2-amine?
The canonical SMILES for 1-methoxy-6-[2-(4-methoxyphenyl)phenyl]-N,N,1-trimethyl-3,4-dihydro-2H-naphthalen-2-amine is COc1ccc(-c2ccccc2-c2ccc3c(c2)CCC(N(C)C)C3(C)OC)cc1.
What is the InChIKey of 1-methoxy-6-[2-(4-methoxyphenyl)phenyl]-N,N,1-trimethyl-3,4-dihydro-2H-naphthalen-2-amine?
The InChIKey is YKSUEXKCAGBWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO2/c1-27(30-5)25-16-12-20(18-21(25)13-17-26(27)28(2)3)24-9-7-6-8-23(24)19-10-14-22(29-4)15-11-19/h6-12,14-16,18,26H,13,17H2,1-5H3.
What are the key properties of 1-methoxy-6-[2-(4-methoxyphenyl)phenyl]-N,N,1-trimethyl-3,4-dihydro-2H-naphthalen-2-amine?
1-methoxy-6-[2-(4-methoxyphenyl)phenyl]-N,N,1-trimethyl-3,4-dihydro-2H-naphthalen-2-amine has a molecular weight of 401.55 g/mol, XLogP of 5.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-6-[2-(4-methoxyphenyl)phenyl]-N,N,1-trimethyl-3,4-dihydro-2H-naphthalen-2-amine is sourced from PubChem (CID 152536949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).