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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[5-[4-(diethylamino)-2-methylphenyl]-2,3,4-trimethoxy-6-methylphenyl]-N,N-diethyl-3-methylaniline
CID 87854299
3-butoxy-4-[2-[2-butoxy-4-(diethylamino)phenyl]-3-methylphenyl]-N,N-diethylaniline
CID 20537794
N,N-diethyl-3,4-dimethoxyaniline
CID 82538204
4-(2,6-dimethoxyphenyl)-3-methylphenol
CID 116811421
4-[2-[[4-(diethylamino)-2-methylphenyl]-diphenylmethyl]phenyl]-N,N-diethyl-3-methylaniline
CID 68854577
2-[4-(diethylamino)-2-methoxyphenyl]naphthalene-1,4-dione
CID 12847598
2-N-[4-(diethylamino)-2-methylphenyl]-4-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930478
N,N-diethyl-3-methoxy-2-(2-methylphenyl)benzamide
CID 14174929
N-[4-(diethylamino)-2-methylphenyl]-3-(2-methoxyanilino)propanamide
CID 109039466
5-N-[4-(diethylamino)-2-methylphenyl]-3-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967184
3-methoxy-2-(2-methylphenyl)phenol
CID 122691974
3-(N-acetyl-2-methoxyanilino)-N-[4-(diethylamino)-2-methylphenyl]propanamide
CID 113128858

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).