1-(4-ethylphenyl)-N,N-dimethyl-N'-[(2,3,4-trimethoxyphenyl)methyl]ethane-1,2-diamine

C22H32N2O3 — CID 45479130

IUPAC1-(4-ethylphenyl)-N,N-dimethyl-N'-[(2,3,4-trimethoxyphenyl)methyl]ethane-1,2-diamine
SMILESCCc1ccc(C(CNCc2ccc(OC)c(OC)c2OC)N(C)C)cc1
InChIInChI=1S/C22H32N2O3/c1-7-16-8-10-17(11-9-16)19(24(2)3)15-23-14-18-12-13-20(25-4)22(27-6)21(18)26-5/h8-13,19,23H,7,14-15H2,1-6H3
InChIKeyGSQYEPVXLBLTDT-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.67
Rot. Bonds10

About 1-(4-ethylphenyl)-N,N-dimethyl-N'-[(2,3,4-trimethoxyphenyl)methyl]ethane-1,2-diamine

1-(4-ethylphenyl)-N,N-dimethyl-N'-[(2,3,4-trimethoxyphenyl)methyl]ethane-1,2-diamine (PubChem CID 45479130) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N,N-dimethyl-N'-[(2,3,4-trimethoxyphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N,N-dimethyl-N'-[(2,3,4-trimethoxyphenyl)methyl]ethane-1,2-diamine
PubChem CID45479130
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Name1-(4-ethylphenyl)-N,N-dimethyl-N'-[(2,3,4-trimethoxyphenyl)methyl]ethane-1,2-diamine
SMILESCCc1ccc(C(CNCc2ccc(OC)c(OC)c2OC)N(C)C)cc1
InChIInChI=1S/C22H32N2O3/c1-7-16-8-10-17(11-9-16)19(24(2)3)15-23-14-18-12-13-20(25-4)22(27-6)21(18)26-5/h8-13,19,23H,7,14-15H2,1-6H3
InChIKeyGSQYEPVXLBLTDT-UHFFFAOYSA-N
XLogP3.67
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine
CID 4719122
N'-methyl-N'-propan-2-yl-N-[(2,3,4-trimethoxyphenyl)methyl]ethane-1,2-diamine
CID 62635743
1-(3,4-dimethoxyphenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine;hydrochloride
CID 47008110
1-(4-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
CID 52526472
N'-[(2,3,4-trimethoxyphenyl)methyl]-N-[2-[(2,3,4-trimethoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;trihydrochloride
CID 139593123
2-ethoxy-2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine
CID 114941178
2-[(2,3,4-trimethoxyphenyl)methylamino]acetonitrile
CID 139371375
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 51169700
N'-ethyl-1-(5-ethyl-2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 116905892
N,N-dimethyl-2-[(2,3,4-trimethoxyphenyl)methylamino]acetamide
CID 43214462
(1S)-1-(3-fluorophenyl)-2-[(2,3,4-trimethoxyphenyl)methylamino]ethanol
CID 94816511
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51169698

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N,N-dimethyl-N'-[(2,3,4-trimethoxyphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of 1-(4-ethylphenyl)-N,N-dimethyl-N'-[(2,3,4-trimethoxyphenyl)methyl]ethane-1,2-diamine (CID 45479130) is 1-(4-ethylphenyl)-N,N-dimethyl-N'-[(2,3,4-trimethoxyphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for 1-(4-ethylphenyl)-N,N-dimethyl-N'-[(2,3,4-trimethoxyphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for 1-(4-ethylphenyl)-N,N-dimethyl-N'-[(2,3,4-trimethoxyphenyl)methyl]ethane-1,2-diamine is CCc1ccc(C(CNCc2ccc(OC)c(OC)c2OC)N(C)C)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N,N-dimethyl-N'-[(2,3,4-trimethoxyphenyl)methyl]ethane-1,2-diamine?
The InChIKey is GSQYEPVXLBLTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-7-16-8-10-17(11-9-16)19(24(2)3)15-23-14-18-12-13-20(25-4)22(27-6)21(18)26-5/h8-13,19,23H,7,14-15H2,1-6H3.
What are the key properties of 1-(4-ethylphenyl)-N,N-dimethyl-N'-[(2,3,4-trimethoxyphenyl)methyl]ethane-1,2-diamine?
1-(4-ethylphenyl)-N,N-dimethyl-N'-[(2,3,4-trimethoxyphenyl)methyl]ethane-1,2-diamine has a molecular weight of 372.51 g/mol, XLogP of 3.67, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N,N-dimethyl-N'-[(2,3,4-trimethoxyphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 45479130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).