4-bromo-2-N-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diamine

C14H23BrN2 — CID 65342502

IUPAC4-bromo-2-N-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diamine
SMILESCC(C)(C)CC(C)(C)Nc1cc(Br)ccc1N
InChIInChI=1S/C14H23BrN2/c1-13(2,3)9-14(4,5)17-12-8-10(15)6-7-11(12)16/h6-8,17H,9,16H2,1-5H3
InChIKeyPOGJSRANPDRMBO-UHFFFAOYSA-N
MW299.26 g/mol
LogP4.66
Rot. Bonds3

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

4-bromo-2-N-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diamine (PubChem CID 65342502) has the molecular formula C14H23BrN2 and a molecular weight of 299.26 g/mol. Its IUPAC name is 4-bromo-2-N-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-2-N-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diamine
PubChem CID65342502
Molecular FormulaC14H23BrN2
Molecular Weight299.26 g/mol
Exact Mass298.10
IUPAC Name4-bromo-2-N-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diamine
SMILESCC(C)(C)CC(C)(C)Nc1cc(Br)ccc1N
InChIInChI=1S/C14H23BrN2/c1-13(2,3)9-14(4,5)17-12-8-10(15)6-7-11(12)16/h6-8,17H,9,16H2,1-5H3
InChIKeyPOGJSRANPDRMBO-UHFFFAOYSA-N
XLogP4.66
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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

2-amino-5-bromo-N-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide
CID 63401977
5-bromo-2-[(2,4,4-trimethylpentan-2-ylamino)methyl]aniline
CID 79712891
3-(2-amino-5-bromoanilino)-3-methylpentan-1-ol
CID 106167096
4-bromo-2-N-propylbenzene-1,2-diamine
CID 65343342
2-(2-amino-5-bromoanilino)-2-phenylpropan-1-ol
CID 105057762
4-bromo-2-N-[3-(dimethylamino)propyl]benzene-1,2-diamine
CID 65343096
4-bromo-2-N-(2-methylbutyl)benzene-1,2-diamine
CID 65342354
4-bromo-2-N-[(4-methylphenyl)methyl]benzene-1,2-diamine
CID 65343098
4-(2-amino-5-bromoanilino)butan-2-ol
CID 65342417
4-bromo-2-N-(4,4,4-trifluorobutyl)benzene-1,2-diamine
CID 115515448
4-bromo-2-N-(3-methoxypropyl)benzene-1,2-diamine
CID 65343412
4-bromo-2-N-(2-ethoxyethyl)benzene-1,2-diamine
CID 65343271

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-N-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diamine?
The IUPAC name of 4-bromo-2-N-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diamine (CID 65342502) is 4-bromo-2-N-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diamine.
What is the SMILES notation for 4-bromo-2-N-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diamine?
The canonical SMILES for 4-bromo-2-N-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diamine is CC(C)(C)CC(C)(C)Nc1cc(Br)ccc1N.
What is the InChIKey of 4-bromo-2-N-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diamine?
The InChIKey is POGJSRANPDRMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2/c1-13(2,3)9-14(4,5)17-12-8-10(15)6-7-11(12)16/h6-8,17H,9,16H2,1-5H3.
What are the key properties of 4-bromo-2-N-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diamine?
4-bromo-2-N-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diamine has a molecular weight of 299.26 g/mol, XLogP of 4.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-N-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diamine is sourced from PubChem (CID 65342502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).