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

C16H19BrN2O2 — CID 83005307

IUPAC4-N-(3-bromo-4-methoxyphenyl)-2-propan-2-yloxybenzene-1,4-diamine
SMILESCOc1ccc(Nc2ccc(N)c(OC(C)C)c2)cc1Br
InChIInChI=1S/C16H19BrN2O2/c1-10(2)21-16-9-12(4-6-14(16)18)19-11-5-7-15(20-3)13(17)8-11/h4-10,19H,18H2,1-3H3
InChIKeyWXEOCJTZDZNYTQ-UHFFFAOYSA-N
MW351.24 g/mol
LogP4.57
Rot. Bonds5

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

4-N-(3-bromo-4-methoxyphenyl)-2-propan-2-yloxybenzene-1,4-diamine (PubChem CID 83005307) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is 4-N-(3-bromo-4-methoxyphenyl)-2-propan-2-yloxybenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(3-bromo-4-methoxyphenyl)-2-propan-2-yloxybenzene-1,4-diamine
PubChem CID83005307
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Name4-N-(3-bromo-4-methoxyphenyl)-2-propan-2-yloxybenzene-1,4-diamine
SMILESCOc1ccc(Nc2ccc(N)c(OC(C)C)c2)cc1Br
InChIInChI=1S/C16H19BrN2O2/c1-10(2)21-16-9-12(4-6-14(16)18)19-11-5-7-15(20-3)13(17)8-11/h4-10,19H,18H2,1-3H3
InChIKeyWXEOCJTZDZNYTQ-UHFFFAOYSA-N
XLogP4.57
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 54.57
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-methoxyphenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83002161
4-N-(3-bromo-2-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 107633687
4-N-(4-bromo-2,3-dichlorophenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 107787009
4-N-(4-bromo-2-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83002014
4-N-(4-chloro-3-fluorophenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83002172
4-N-(2-methoxypropyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 102694533
4-bromo-2-propan-2-yloxyaniline
CID 50998232
4-N-(3-chloro-4-methoxyphenyl)-2-methoxybenzene-1,4-diamine
CID 55233537
4-(2,2-dimethylhydrazinyl)-2-propan-2-yloxyaniline
CID 83012844
4-N-(2,4-dibromophenyl)-2-methoxybenzene-1,4-diamine
CID 63670354
4-N-(2,3-dimethylphenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83002233

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromo-4-methoxyphenyl)-2-propan-2-yloxybenzene-1,4-diamine?
The IUPAC name of 4-N-(3-bromo-4-methoxyphenyl)-2-propan-2-yloxybenzene-1,4-diamine (CID 83005307) is 4-N-(3-bromo-4-methoxyphenyl)-2-propan-2-yloxybenzene-1,4-diamine.
What is the SMILES notation for 4-N-(3-bromo-4-methoxyphenyl)-2-propan-2-yloxybenzene-1,4-diamine?
The canonical SMILES for 4-N-(3-bromo-4-methoxyphenyl)-2-propan-2-yloxybenzene-1,4-diamine is COc1ccc(Nc2ccc(N)c(OC(C)C)c2)cc1Br.
What is the InChIKey of 4-N-(3-bromo-4-methoxyphenyl)-2-propan-2-yloxybenzene-1,4-diamine?
The InChIKey is WXEOCJTZDZNYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c1-10(2)21-16-9-12(4-6-14(16)18)19-11-5-7-15(20-3)13(17)8-11/h4-10,19H,18H2,1-3H3.
What are the key properties of 4-N-(3-bromo-4-methoxyphenyl)-2-propan-2-yloxybenzene-1,4-diamine?
4-N-(3-bromo-4-methoxyphenyl)-2-propan-2-yloxybenzene-1,4-diamine has a molecular weight of 351.24 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-bromo-4-methoxyphenyl)-2-propan-2-yloxybenzene-1,4-diamine is sourced from PubChem (CID 83005307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).