1-(4-methoxy-3-methylphenyl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine

C16H28N2O — CID 63983095

IUPAC1-(4-methoxy-3-methylphenyl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
SMILESCCC(C)(C)N(C)C(CN)c1ccc(OC)c(C)c1
InChIInChI=1S/C16H28N2O/c1-7-16(3,4)18(5)14(11-17)13-8-9-15(19-6)12(2)10-13/h8-10,14H,7,11,17H2,1-6H3
InChIKeyWZIDSQYOKRTMKH-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.12
Rot. Bonds6

About 1-(4-methoxy-3-methylphenyl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine

1-(4-methoxy-3-methylphenyl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine (PubChem CID 63983095) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-(4-methoxy-3-methylphenyl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-methoxy-3-methylphenyl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
PubChem CID63983095
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-(4-methoxy-3-methylphenyl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
SMILESCCC(C)(C)N(C)C(CN)c1ccc(OC)c(C)c1
InChIInChI=1S/C16H28N2O/c1-7-16(3,4)18(5)14(11-17)13-8-9-15(19-6)12(2)10-13/h8-10,14H,7,11,17H2,1-6H3
InChIKeyWZIDSQYOKRTMKH-UHFFFAOYSA-N
XLogP3.12
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-methoxy-3-methylphenyl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine 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

1-(3-fluoro-4-methylphenyl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 63983968
1-(4-methoxy-3-methylphenyl)-N,N,3,3-tetramethylbutane-1,4-diamine
CID 116905729
N-(4-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylethane-1,2-diamine
CID 62132256
1-(3-bromo-4-fluorophenyl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 63983958
N-methyl-N-(2-methylbutan-2-yl)-1-(2-methylquinolin-6-yl)ethane-1,2-diamine
CID 105378810
1-(4-methoxy-3-methylphenyl)-N-pentyl-N-propan-2-ylethane-1,2-diamine
CID 62133905
1-(4-methoxy-3-methylphenyl)-N-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 62132615
(1S)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine
CID 55278362
2-(aminomethyl)-1-(4-methoxy-3-methylphenyl)-2-methylbutan-1-ol
CID 79137885
2-(dimethylamino)-2-(4-methoxy-3-methylphenyl)ethanol
CID 116857211
3-amino-1-(dimethylamino)-1-(4-methoxy-3-methylphenyl)propan-2-ol
CID 116911674
1-(4-methoxy-3-methylphenyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine
CID 63275627

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-methylphenyl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine?
The IUPAC name of 1-(4-methoxy-3-methylphenyl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine (CID 63983095) is 1-(4-methoxy-3-methylphenyl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-methoxy-3-methylphenyl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-methoxy-3-methylphenyl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine is CCC(C)(C)N(C)C(CN)c1ccc(OC)c(C)c1.
What is the InChIKey of 1-(4-methoxy-3-methylphenyl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine?
The InChIKey is WZIDSQYOKRTMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-7-16(3,4)18(5)14(11-17)13-8-9-15(19-6)12(2)10-13/h8-10,14H,7,11,17H2,1-6H3.
What are the key properties of 1-(4-methoxy-3-methylphenyl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine?
1-(4-methoxy-3-methylphenyl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine has a molecular weight of 264.41 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-methylphenyl)-N-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 63983095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).