4-bromo-2-N-(2-ethylhexyl)benzene-1,2-diamine

C14H23BrN2 — CID 114004564

IUPAC4-bromo-2-N-(2-ethylhexyl)benzene-1,2-diamine
SMILESCCCCC(CC)CNc1cc(Br)ccc1N
InChIInChI=1S/C14H23BrN2/c1-3-5-6-11(4-2)10-17-14-9-12(15)7-8-13(14)16/h7-9,11,17H,3-6,10,16H2,1-2H3
InChIKeyGZOOMQLFWHKJPL-UHFFFAOYSA-N
MW299.26 g/mol
LogP4.66
Rot. Bonds7

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

4-bromo-2-N-(2-ethylhexyl)benzene-1,2-diamine (PubChem CID 114004564) has the molecular formula C14H23BrN2 and a molecular weight of 299.26 g/mol. Its IUPAC name is 4-bromo-2-N-(2-ethylhexyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-2-N-(2-ethylhexyl)benzene-1,2-diamine
PubChem CID114004564
Molecular FormulaC14H23BrN2
Molecular Weight299.26 g/mol
Exact Mass298.10
IUPAC Name4-bromo-2-N-(2-ethylhexyl)benzene-1,2-diamine
SMILESCCCCC(CC)CNc1cc(Br)ccc1N
InChIInChI=1S/C14H23BrN2/c1-3-5-6-11(4-2)10-17-14-9-12(15)7-8-13(14)16/h7-9,11,17H,3-6,10,16H2,1-2H3
InChIKeyGZOOMQLFWHKJPL-UHFFFAOYSA-N
XLogP4.66
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 54.66
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-1-N-(2-ethylhexyl)benzene-1,2-diamine
CID 107819769
4-bromo-2-chloro-N-(2-ethylhexyl)aniline
CID 63489227
4-amino-3-(2-ethylhexylamino)-N-methylbenzenesulfonamide
CID 107819850
4-bromo-2-N-(2-methylbutyl)benzene-1,2-diamine
CID 65342354
4-N-(2-ethylhexyl)-2-methylbenzene-1,4-diamine
CID 107819815
4-(2-amino-5-bromoanilino)-3-methylbutan-1-ol
CID 66089189
4-bromo-2-N-propylbenzene-1,2-diamine
CID 65343342
1-N-(2-ethylhexyl)-4-methoxybenzene-1,2-diamine
CID 107819851
5-bromo-4-N-(2-ethylhexyl)pyrimidine-4,6-diamine
CID 114072894
1-N-(2-ethylhexyl)-4-fluoro-5-methoxybenzene-1,2-diamine
CID 107819798
3-bromo-N-(2-ethylhexyl)-2-methylaniline
CID 107633893
2-bromo-N-(2-ethylhexyl)-4-(trifluoromethyl)aniline
CID 107816448

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-N-(2-ethylhexyl)benzene-1,2-diamine?
The IUPAC name of 4-bromo-2-N-(2-ethylhexyl)benzene-1,2-diamine (CID 114004564) is 4-bromo-2-N-(2-ethylhexyl)benzene-1,2-diamine.
What is the SMILES notation for 4-bromo-2-N-(2-ethylhexyl)benzene-1,2-diamine?
The canonical SMILES for 4-bromo-2-N-(2-ethylhexyl)benzene-1,2-diamine is CCCCC(CC)CNc1cc(Br)ccc1N.
What is the InChIKey of 4-bromo-2-N-(2-ethylhexyl)benzene-1,2-diamine?
The InChIKey is GZOOMQLFWHKJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2/c1-3-5-6-11(4-2)10-17-14-9-12(15)7-8-13(14)16/h7-9,11,17H,3-6,10,16H2,1-2H3.
What are the key properties of 4-bromo-2-N-(2-ethylhexyl)benzene-1,2-diamine?
4-bromo-2-N-(2-ethylhexyl)benzene-1,2-diamine has a molecular weight of 299.26 g/mol, XLogP of 4.66, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-N-(2-ethylhexyl)benzene-1,2-diamine is sourced from PubChem (CID 114004564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).