4-N-(3-methoxyphenyl)-2-propan-2-yloxybenzene-1,4-diamine

C16H20N2O2 — CID 83002161

IUPAC4-N-(3-methoxyphenyl)-2-propan-2-yloxybenzene-1,4-diamine
SMILESCOc1cccc(Nc2ccc(N)c(OC(C)C)c2)c1
InChIInChI=1S/C16H20N2O2/c1-11(2)20-16-10-13(7-8-15(16)17)18-12-5-4-6-14(9-12)19-3/h4-11,18H,17H2,1-3H3
InChIKeyWNSIOWPCDBNLOG-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.81
Rot. Bonds5

About 4-N-(3-methoxyphenyl)-2-propan-2-yloxybenzene-1,4-diamine

4-N-(3-methoxyphenyl)-2-propan-2-yloxybenzene-1,4-diamine (PubChem CID 83002161) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-N-(3-methoxyphenyl)-2-propan-2-yloxybenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(3-methoxyphenyl)-2-propan-2-yloxybenzene-1,4-diamine
PubChem CID83002161
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name4-N-(3-methoxyphenyl)-2-propan-2-yloxybenzene-1,4-diamine
SMILESCOc1cccc(Nc2ccc(N)c(OC(C)C)c2)c1
InChIInChI=1S/C16H20N2O2/c1-11(2)20-16-10-13(7-8-15(16)17)18-12-5-4-6-14(9-12)19-3/h4-11,18H,17H2,1-3H3
InChIKeyWNSIOWPCDBNLOG-UHFFFAOYSA-N
XLogP3.81
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.81
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

4-N-(3-fluoro-4-methoxyphenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83004506
4-N-(3-bromo-4-methoxyphenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83005307
4-N-(2,3-dimethylphenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83002233
2-amino-5-(3-methoxyanilino)benzamide
CID 61307103
4-N-(4-chloro-3-fluorophenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83002172
4-N-(3-bromo-2-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 107633687
4-N-(2-methoxypropyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 102694533
5-methoxy-3-N-(3-methoxyphenyl)benzene-1,3-diamine
CID 80722123
5-[3-(3-methoxyanilino)propyl]-2-propan-2-yloxyaniline
CID 94760428
4-N-(4-fluoro-2-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83001941
4-(2,2-dimethylhydrazinyl)-2-propan-2-yloxyaniline
CID 83012844
6-N-(3-methoxyphenyl)-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112866173

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methoxyphenyl)-2-propan-2-yloxybenzene-1,4-diamine?
The IUPAC name of 4-N-(3-methoxyphenyl)-2-propan-2-yloxybenzene-1,4-diamine (CID 83002161) is 4-N-(3-methoxyphenyl)-2-propan-2-yloxybenzene-1,4-diamine.
What is the SMILES notation for 4-N-(3-methoxyphenyl)-2-propan-2-yloxybenzene-1,4-diamine?
The canonical SMILES for 4-N-(3-methoxyphenyl)-2-propan-2-yloxybenzene-1,4-diamine is COc1cccc(Nc2ccc(N)c(OC(C)C)c2)c1.
What is the InChIKey of 4-N-(3-methoxyphenyl)-2-propan-2-yloxybenzene-1,4-diamine?
The InChIKey is WNSIOWPCDBNLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11(2)20-16-10-13(7-8-15(16)17)18-12-5-4-6-14(9-12)19-3/h4-11,18H,17H2,1-3H3.
What are the key properties of 4-N-(3-methoxyphenyl)-2-propan-2-yloxybenzene-1,4-diamine?
4-N-(3-methoxyphenyl)-2-propan-2-yloxybenzene-1,4-diamine has a molecular weight of 272.35 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methoxyphenyl)-2-propan-2-yloxybenzene-1,4-diamine is sourced from PubChem (CID 83002161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).