3-N-(2,4-dimethoxyphenyl)-4-methylbenzene-1,3-diamine

C15H18N2O2 — CID 62588272

IUPAC3-N-(2,4-dimethoxyphenyl)-4-methylbenzene-1,3-diamine
SMILESCOc1ccc(Nc2cc(N)ccc2C)c(OC)c1
InChIInChI=1S/C15H18N2O2/c1-10-4-5-11(16)8-14(10)17-13-7-6-12(18-2)9-15(13)19-3/h4-9,17H,16H2,1-3H3
InChIKeyQQOUSZDRCYWDNC-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.34
Rot. Bonds4

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

3-N-(2,4-dimethoxyphenyl)-4-methylbenzene-1,3-diamine (PubChem CID 62588272) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-N-(2,4-dimethoxyphenyl)-4-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(2,4-dimethoxyphenyl)-4-methylbenzene-1,3-diamine
PubChem CID62588272
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-N-(2,4-dimethoxyphenyl)-4-methylbenzene-1,3-diamine
SMILESCOc1ccc(Nc2cc(N)ccc2C)c(OC)c1
InChIInChI=1S/C15H18N2O2/c1-10-4-5-11(16)8-14(10)17-13-7-6-12(18-2)9-15(13)19-3/h4-9,17H,16H2,1-3H3
InChIKeyQQOUSZDRCYWDNC-UHFFFAOYSA-N
XLogP3.34
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-N-(2,4-dimethoxyphenyl)-5-methylbenzene-1,4-diamine
CID 115554471
5-amino-2-(2,4-dimethoxyanilino)benzamide
CID 61312108
3-N-(4-methoxy-3-methylphenyl)-4-methylbenzene-1,3-diamine
CID 55091364
2-chloro-1-N-(4-methoxy-2-methylphenyl)benzene-1,4-diamine
CID 62867858
2-fluoro-1-N-(4-methoxy-2-methylphenyl)benzene-1,4-diamine
CID 55130091
2-methoxy-1-N-phenylbenzene-1,4-diamine
CID 22062515
2,4-dimethoxy-N-methylaniline;ethane
CID 143206191
4-N,6-N-bis(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142820
3-N-(3-chloro-4-methoxyphenyl)-4-methylbenzene-1,3-diamine
CID 55091841
3-N-(5-methoxy-2-methylphenyl)naphthalene-1,3,6-triamine
CID 70480176
ethane;methane;3-methoxy-4-methylaniline
CID 144516222
2-N-(2,4-dimethoxyphenyl)-5-methylpyridine-2,3-diamine
CID 66280389

Frequently Asked Questions

What is the IUPAC name of 3-N-(2,4-dimethoxyphenyl)-4-methylbenzene-1,3-diamine?
The IUPAC name of 3-N-(2,4-dimethoxyphenyl)-4-methylbenzene-1,3-diamine (CID 62588272) is 3-N-(2,4-dimethoxyphenyl)-4-methylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-(2,4-dimethoxyphenyl)-4-methylbenzene-1,3-diamine?
The canonical SMILES for 3-N-(2,4-dimethoxyphenyl)-4-methylbenzene-1,3-diamine is COc1ccc(Nc2cc(N)ccc2C)c(OC)c1.
What is the InChIKey of 3-N-(2,4-dimethoxyphenyl)-4-methylbenzene-1,3-diamine?
The InChIKey is QQOUSZDRCYWDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10-4-5-11(16)8-14(10)17-13-7-6-12(18-2)9-15(13)19-3/h4-9,17H,16H2,1-3H3.
What are the key properties of 3-N-(2,4-dimethoxyphenyl)-4-methylbenzene-1,3-diamine?
3-N-(2,4-dimethoxyphenyl)-4-methylbenzene-1,3-diamine has a molecular weight of 258.32 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,4-dimethoxyphenyl)-4-methylbenzene-1,3-diamine is sourced from PubChem (CID 62588272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).