4-[2-[4-(diethylamino)-2-methylphenyl]-3-methoxyphenyl]-N,N-diethyl-3-methylaniline

C29H38N2O — CID 90719278

IUPAC4-[2-[4-(diethylamino)-2-methylphenyl]-3-methoxyphenyl]-N,N-diethyl-3-methylaniline
SMILESCCN(CC)c1ccc(-c2cccc(OC)c2-c2ccc(N(CC)CC)cc2C)c(C)c1
InChIInChI=1S/C29H38N2O/c1-8-30(9-2)23-15-17-25(21(5)19-23)27-13-12-14-28(32-7)29(27)26-18-16-24(20-22(26)6)31(10-3)11-4/h12-20H,8-11H2,1-7H3
InChIKeyQJFHDRDBTMMSLJ-UHFFFAOYSA-N
MW430.64 g/mol
LogP7.34
Rot. Bonds9

About 4-[2-[4-(diethylamino)-2-methylphenyl]-3-methoxyphenyl]-N,N-diethyl-3-methylaniline

4-[2-[4-(diethylamino)-2-methylphenyl]-3-methoxyphenyl]-N,N-diethyl-3-methylaniline (PubChem CID 90719278) has the molecular formula C29H38N2O and a molecular weight of 430.64 g/mol. Its IUPAC name is 4-[2-[4-(diethylamino)-2-methylphenyl]-3-methoxyphenyl]-N,N-diethyl-3-methylaniline.

Molecular Properties

Compound Name4-[2-[4-(diethylamino)-2-methylphenyl]-3-methoxyphenyl]-N,N-diethyl-3-methylaniline
PubChem CID90719278
Molecular FormulaC29H38N2O
Molecular Weight430.64 g/mol
Exact Mass430.30
IUPAC Name4-[2-[4-(diethylamino)-2-methylphenyl]-3-methoxyphenyl]-N,N-diethyl-3-methylaniline
SMILESCCN(CC)c1ccc(-c2cccc(OC)c2-c2ccc(N(CC)CC)cc2C)c(C)c1
InChIInChI=1S/C29H38N2O/c1-8-30(9-2)23-15-17-25(21(5)19-23)27-13-12-14-28(32-7)29(27)26-18-16-24(20-22(26)6)31(10-3)11-4/h12-20H,8-11H2,1-7H3
InChIKeyQJFHDRDBTMMSLJ-UHFFFAOYSA-N
XLogP7.34
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.64
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(diethylamino)-2-methylphenyl]-3-methoxyphenyl]-N,N-diethyl-3-methylaniline?
The IUPAC name of 4-[2-[4-(diethylamino)-2-methylphenyl]-3-methoxyphenyl]-N,N-diethyl-3-methylaniline (CID 90719278) is 4-[2-[4-(diethylamino)-2-methylphenyl]-3-methoxyphenyl]-N,N-diethyl-3-methylaniline.
What is the SMILES notation for 4-[2-[4-(diethylamino)-2-methylphenyl]-3-methoxyphenyl]-N,N-diethyl-3-methylaniline?
The canonical SMILES for 4-[2-[4-(diethylamino)-2-methylphenyl]-3-methoxyphenyl]-N,N-diethyl-3-methylaniline is CCN(CC)c1ccc(-c2cccc(OC)c2-c2ccc(N(CC)CC)cc2C)c(C)c1.
What is the InChIKey of 4-[2-[4-(diethylamino)-2-methylphenyl]-3-methoxyphenyl]-N,N-diethyl-3-methylaniline?
The InChIKey is QJFHDRDBTMMSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N2O/c1-8-30(9-2)23-15-17-25(21(5)19-23)27-13-12-14-28(32-7)29(27)26-18-16-24(20-22(26)6)31(10-3)11-4/h12-20H,8-11H2,1-7H3.
What are the key properties of 4-[2-[4-(diethylamino)-2-methylphenyl]-3-methoxyphenyl]-N,N-diethyl-3-methylaniline?
4-[2-[4-(diethylamino)-2-methylphenyl]-3-methoxyphenyl]-N,N-diethyl-3-methylaniline has a molecular weight of 430.64 g/mol, XLogP of 7.34, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(diethylamino)-2-methylphenyl]-3-methoxyphenyl]-N,N-diethyl-3-methylaniline is sourced from PubChem (CID 90719278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).