4-bromo-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine

C15H17BrN2O — CID 29067641

IUPAC4-bromo-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine
SMILESCC(C)Oc1ccc(Nc2ccc(Br)cc2N)cc1
InChIInChI=1S/C15H17BrN2O/c1-10(2)19-13-6-4-12(5-7-13)18-15-8-3-11(16)9-14(15)17/h3-10,18H,17H2,1-2H3
InChIKeyHKNYWHMCUGEDNL-UHFFFAOYSA-N
MW321.22 g/mol
LogP4.56
Rot. Bonds4

About 4-bromo-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine

4-bromo-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine (PubChem CID 29067641) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 4-bromo-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine
PubChem CID29067641
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name4-bromo-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine
SMILESCC(C)Oc1ccc(Nc2ccc(Br)cc2N)cc1
InChIInChI=1S/C15H17BrN2O/c1-10(2)19-13-6-4-12(5-7-13)18-15-8-3-11(16)9-14(15)17/h3-10,18H,17H2,1-2H3
InChIKeyHKNYWHMCUGEDNL-UHFFFAOYSA-N
XLogP4.56
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-bromo-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine
CID 29067640
4-bromo-1-N-(4-fluorophenyl)benzene-1,2-diamine
CID 43148755
4-fluoro-2-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine
CID 55067775
4-N-(4-bromo-2-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83002014
4-bromo-1-N-[4-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 29066934
6-N-(4-propan-2-yloxyphenyl)-1H-indazole-5,6-diamine
CID 107488738
1-N-(3-propan-2-yloxyphenyl)benzene-1,2,4-triamine
CID 54794975
4-bromo-1-N-(3,4,5-trimethoxyphenyl)benzene-1,2-diamine
CID 29066562
4-bromo-1-N-(3,5-dichlorophenyl)benzene-1,2-diamine
CID 29066963
5-bromo-2-[4-(difluoromethoxy)anilino]benzonitrile
CID 114890441
4-bromo-2-fluoro-N-(3-propan-2-yloxyphenyl)aniline
CID 67925820
3-fluoro-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine
CID 60789932

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine?
The IUPAC name of 4-bromo-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine (CID 29067641) is 4-bromo-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine.
What is the SMILES notation for 4-bromo-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine?
The canonical SMILES for 4-bromo-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine is CC(C)Oc1ccc(Nc2ccc(Br)cc2N)cc1.
What is the InChIKey of 4-bromo-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine?
The InChIKey is HKNYWHMCUGEDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-10(2)19-13-6-4-12(5-7-13)18-15-8-3-11(16)9-14(15)17/h3-10,18H,17H2,1-2H3.
What are the key properties of 4-bromo-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine?
4-bromo-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine has a molecular weight of 321.22 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine is sourced from PubChem (CID 29067641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).