1-N-(4-methoxyphenyl)-4-methylbenzene-1,3-diamine

C14H16N2O — CID 55130746

IUPAC1-N-(4-methoxyphenyl)-4-methylbenzene-1,3-diamine
SMILESCOc1ccc(Nc2ccc(C)c(N)c2)cc1
InChIInChI=1S/C14H16N2O/c1-10-3-4-12(9-14(10)15)16-11-5-7-13(17-2)8-6-11/h3-9,16H,15H2,1-2H3
InChIKeyNAEIEIMEALANAX-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.33
Rot. Bonds3

About 1-N-(4-methoxyphenyl)-4-methylbenzene-1,3-diamine

1-N-(4-methoxyphenyl)-4-methylbenzene-1,3-diamine (PubChem CID 55130746) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-N-(4-methoxyphenyl)-4-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-(4-methoxyphenyl)-4-methylbenzene-1,3-diamine
PubChem CID55130746
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name1-N-(4-methoxyphenyl)-4-methylbenzene-1,3-diamine
SMILESCOc1ccc(Nc2ccc(C)c(N)c2)cc1
InChIInChI=1S/C14H16N2O/c1-10-3-4-12(9-14(10)15)16-11-5-7-13(17-2)8-6-11/h3-9,16H,15H2,1-2H3
InChIKeyNAEIEIMEALANAX-UHFFFAOYSA-N
XLogP3.33
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.33
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

4-N-(4-methoxyphenyl)-2-methylbenzene-1,4-diamine
CID 43436240
1-N-(3,4-dimethoxyphenyl)-4-methylbenzene-1,3-diamine
CID 62911783
1-N-[5-(4-methoxyphenyl)pyrimidin-2-yl]-4-methylbenzene-1,3-diamine
CID 73010916
3-N-(4-methoxyphenyl)benzene-1,3-diamine
CID 22486418
4-(3-amino-4-methylanilino)benzonitrile
CID 62911619
2-amino-5-(4-methoxyanilino)benzamide
CID 61311885
1-N-methoxy-4-methylbenzene-1,3-diamine
CID 87287100
4-methoxy-2-N-(4-methoxyphenyl)benzene-1,2-diamine
CID 69243063
1-N-(2-methoxy-5-methylphenyl)-4-methylbenzene-1,3-diamine
CID 62912994
N-(3-amino-4-methylphenyl)-4-methoxy-2-methylbenzenesulfonamide
CID 39439925
1-N-(5-bromo-2-methoxyphenyl)-4-methylbenzene-1,3-diamine
CID 62912318
2-N-(3-iodo-4-methylphenyl)-4-methoxybenzene-1,2-diamine
CID 114257091

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-methoxyphenyl)-4-methylbenzene-1,3-diamine?
The IUPAC name of 1-N-(4-methoxyphenyl)-4-methylbenzene-1,3-diamine (CID 55130746) is 1-N-(4-methoxyphenyl)-4-methylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-(4-methoxyphenyl)-4-methylbenzene-1,3-diamine?
The canonical SMILES for 1-N-(4-methoxyphenyl)-4-methylbenzene-1,3-diamine is COc1ccc(Nc2ccc(C)c(N)c2)cc1.
What is the InChIKey of 1-N-(4-methoxyphenyl)-4-methylbenzene-1,3-diamine?
The InChIKey is NAEIEIMEALANAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-10-3-4-12(9-14(10)15)16-11-5-7-13(17-2)8-6-11/h3-9,16H,15H2,1-2H3.
What are the key properties of 1-N-(4-methoxyphenyl)-4-methylbenzene-1,3-diamine?
1-N-(4-methoxyphenyl)-4-methylbenzene-1,3-diamine has a molecular weight of 228.29 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-methoxyphenyl)-4-methylbenzene-1,3-diamine is sourced from PubChem (CID 55130746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).