2-N-(4-ethoxy-3-methylphenyl)-3-methylbenzene-1,2-diamine

C16H20N2O — CID 115125939

IUPAC2-N-(4-ethoxy-3-methylphenyl)-3-methylbenzene-1,2-diamine
SMILESCCOc1ccc(Nc2c(C)cccc2N)cc1C
InChIInChI=1S/C16H20N2O/c1-4-19-15-9-8-13(10-12(15)3)18-16-11(2)6-5-7-14(16)17/h5-10,18H,4,17H2,1-3H3
InChIKeyNOUMYUWARTZQOK-UHFFFAOYSA-N
MW256.35 g/mol
LogP4.03
Rot. Bonds4

About 2-N-(4-ethoxy-3-methylphenyl)-3-methylbenzene-1,2-diamine

2-N-(4-ethoxy-3-methylphenyl)-3-methylbenzene-1,2-diamine (PubChem CID 115125939) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-N-(4-ethoxy-3-methylphenyl)-3-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-ethoxy-3-methylphenyl)-3-methylbenzene-1,2-diamine
PubChem CID115125939
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-N-(4-ethoxy-3-methylphenyl)-3-methylbenzene-1,2-diamine
SMILESCCOc1ccc(Nc2c(C)cccc2N)cc1C
InChIInChI=1S/C16H20N2O/c1-4-19-15-9-8-13(10-12(15)3)18-16-11(2)6-5-7-14(16)17/h5-10,18H,4,17H2,1-3H3
InChIKeyNOUMYUWARTZQOK-UHFFFAOYSA-N
XLogP4.03
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-N-(3-chloro-4-methoxyphenyl)-3-methylbenzene-1,2-diamine
CID 113333668
3-ethoxy-2-N-(3-ethoxyphenyl)benzene-1,2-diamine
CID 140989971
2-N-(3-ethylphenyl)-3-methylbenzene-1,2-diamine
CID 113333679
3-chloro-2-N-(4-methoxy-3-methylphenyl)benzene-1,2-diamine
CID 54964711
2-N-[3-bromo-4-(trifluoromethoxy)phenyl]-3-methylbenzene-1,2-diamine
CID 107335791
4-ethoxy-N-ethyl-3-methylaniline
CID 82490653
N-[(3-aminophenyl)methyl]-4-ethoxy-3-methylaniline
CID 115211777
4-N-(2,5-diethoxyphenyl)-2-methylbenzene-1,4-diamine
CID 43436266
N-(2-chloroethyl)-4-ethoxy-3-methylaniline
CID 115214594
3-methyl-2-N-(5,6,7,8-tetrahydronaphthalen-2-yl)benzene-1,2-diamine
CID 115125922
2-ethoxy-4-N-(3-methylphenyl)benzene-1,4-diamine
CID 63669948
6-(4-ethoxy-3-methylanilino)pyridine-2-carbonitrile
CID 133392258

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-ethoxy-3-methylphenyl)-3-methylbenzene-1,2-diamine?
The IUPAC name of 2-N-(4-ethoxy-3-methylphenyl)-3-methylbenzene-1,2-diamine (CID 115125939) is 2-N-(4-ethoxy-3-methylphenyl)-3-methylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-(4-ethoxy-3-methylphenyl)-3-methylbenzene-1,2-diamine?
The canonical SMILES for 2-N-(4-ethoxy-3-methylphenyl)-3-methylbenzene-1,2-diamine is CCOc1ccc(Nc2c(C)cccc2N)cc1C.
What is the InChIKey of 2-N-(4-ethoxy-3-methylphenyl)-3-methylbenzene-1,2-diamine?
The InChIKey is NOUMYUWARTZQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-4-19-15-9-8-13(10-12(15)3)18-16-11(2)6-5-7-14(16)17/h5-10,18H,4,17H2,1-3H3.
What are the key properties of 2-N-(4-ethoxy-3-methylphenyl)-3-methylbenzene-1,2-diamine?
2-N-(4-ethoxy-3-methylphenyl)-3-methylbenzene-1,2-diamine has a molecular weight of 256.35 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-ethoxy-3-methylphenyl)-3-methylbenzene-1,2-diamine is sourced from PubChem (CID 115125939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).