4-bromo-6-tert-butylbenzene-1,3-diamine

C10H15BrN2 — CID 143986594

IUPAC4-bromo-6-tert-butylbenzene-1,3-diamine
SMILESCC(C)(C)c1cc(Br)c(N)cc1N
InChIInChI=1S/C10H15BrN2/c1-10(2,3)6-4-7(11)9(13)5-8(6)12/h4-5H,12-13H2,1-3H3
InChIKeyRLFKDUSRRSHBMS-UHFFFAOYSA-N
MW243.15 g/mol
LogP2.91
Rot. Bonds

About 4-bromo-6-tert-butylbenzene-1,3-diamine

4-bromo-6-tert-butylbenzene-1,3-diamine (PubChem CID 143986594) has the molecular formula C10H15BrN2 and a molecular weight of 243.15 g/mol. Its IUPAC name is 4-bromo-6-tert-butylbenzene-1,3-diamine.

Molecular Properties

Compound Name4-bromo-6-tert-butylbenzene-1,3-diamine
PubChem CID143986594
Molecular FormulaC10H15BrN2
Molecular Weight243.15 g/mol
Exact Mass242.04
IUPAC Name4-bromo-6-tert-butylbenzene-1,3-diamine
SMILESCC(C)(C)c1cc(Br)c(N)cc1N
InChIInChI=1S/C10H15BrN2/c1-10(2,3)6-4-7(11)9(13)5-8(6)12/h4-5H,12-13H2,1-3H3
InChIKeyRLFKDUSRRSHBMS-UHFFFAOYSA-N
XLogP2.91
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-tert-butylaniline;hydrobromide
CID 163332964
4-tert-butyl-1-N-methylbenzene-1,3-diamine
CID 130787957
2-bromo-4-methyl-5-(trifluoromethyl)aniline
CID 53416665
3-bromo-5-tert-butylbenzene-1,2-diamine
CID 58536691
1-bromo-5-tert-butyl-2,4-difluorobenzene
CID 153434868
2,5-dibromo-4-methylaniline
CID 15752291
2-bromo-4-tert-butyl-5-nitroaniline;4-tert-butyl-5-nitro-2-(2-trimethylsilylethynyl)aniline
CID 160826960
1-bromo-2-tert-butyl-4,5-dimethylbenzene
CID 23588940
2-tert-butyl-4-(4-fluorophenyl)-5-methylaniline
CID 67962216
5-tert-butyl-2-methylpyridin-4-amine
CID 155095882
2-bromo-4-tert-butyl-5-iodophenol
CID 166610557
2-(2-amino-4-bromophenyl)propan-2-ol
CID 57155706

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-tert-butylbenzene-1,3-diamine?
The IUPAC name of 4-bromo-6-tert-butylbenzene-1,3-diamine (CID 143986594) is 4-bromo-6-tert-butylbenzene-1,3-diamine.
What is the SMILES notation for 4-bromo-6-tert-butylbenzene-1,3-diamine?
The canonical SMILES for 4-bromo-6-tert-butylbenzene-1,3-diamine is CC(C)(C)c1cc(Br)c(N)cc1N.
What is the InChIKey of 4-bromo-6-tert-butylbenzene-1,3-diamine?
The InChIKey is RLFKDUSRRSHBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2/c1-10(2,3)6-4-7(11)9(13)5-8(6)12/h4-5H,12-13H2,1-3H3.
What are the key properties of 4-bromo-6-tert-butylbenzene-1,3-diamine?
4-bromo-6-tert-butylbenzene-1,3-diamine has a molecular weight of 243.15 g/mol, XLogP of 2.91, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-tert-butylbenzene-1,3-diamine is sourced from PubChem (CID 143986594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).