2-N-(5-bromo-4-fluoro-2-methylphenyl)propane-1,2-diamine

C10H14BrFN2 — CID 107591558

IUPAC2-N-(5-bromo-4-fluoro-2-methylphenyl)propane-1,2-diamine
SMILESCc1cc(F)c(Br)cc1NC(C)CN
InChIInChI=1S/C10H14BrFN2/c1-6-3-9(12)8(11)4-10(6)14-7(2)5-13/h3-4,7,14H,5,13H2,1-2H3
InChIKeyIQJGVNRKMNGIAF-UHFFFAOYSA-N
MW261.14 g/mol
LogP2.66
Rot. Bonds3

About 2-N-(5-bromo-4-fluoro-2-methylphenyl)propane-1,2-diamine

2-N-(5-bromo-4-fluoro-2-methylphenyl)propane-1,2-diamine (PubChem CID 107591558) has the molecular formula C10H14BrFN2 and a molecular weight of 261.14 g/mol. Its IUPAC name is 2-N-(5-bromo-4-fluoro-2-methylphenyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(5-bromo-4-fluoro-2-methylphenyl)propane-1,2-diamine
PubChem CID107591558
Molecular FormulaC10H14BrFN2
Molecular Weight261.14 g/mol
Exact Mass260.03
IUPAC Name2-N-(5-bromo-4-fluoro-2-methylphenyl)propane-1,2-diamine
SMILESCc1cc(F)c(Br)cc1NC(C)CN
InChIInChI=1S/C10H14BrFN2/c1-6-3-9(12)8(11)4-10(6)14-7(2)5-13/h3-4,7,14H,5,13H2,1-2H3
InChIKeyIQJGVNRKMNGIAF-UHFFFAOYSA-N
XLogP2.66
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.14
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-bromo-4-fluoro-2-methylanilino)-N'-hydroxybutanimidamide
CID 107592821
5-bromo-N-(1,1-difluoropropan-2-yl)-4-fluoro-2-methylaniline
CID 107591486
1-amino-N-(5-bromo-4-fluoro-2-methylphenyl)propane-2-sulfonamide
CID 106087794
5-bromo-4-fluoro-2-methyl-N-(4-phenylbutan-2-yl)aniline
CID 107591356
(5-bromo-4-fluoro-2-methylphenyl)hydrazine;ethane
CID 156888399
4-(1-aminopropan-2-ylamino)-2,5-dimethylphenol
CID 106954059
5-bromo-N-[1-(2-bromophenyl)ethyl]-4-fluoro-2-methylaniline
CID 107591358
3-(5-bromo-4-fluoro-2-methylanilino)-2-methylbutanoic acid
CID 107591918
5-bromo-4-fluoro-N-[1-(2-fluorophenyl)ethyl]-2-methylaniline
CID 107591660
4-bromo-N-(1,1-difluoropropan-2-yl)-5-fluoro-2-methylaniline
CID 102870136
2-N-(4,5-dimethoxy-2-methylphenyl)propane-1,2-diamine
CID 103388458
2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)propanamide
CID 107592265

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-bromo-4-fluoro-2-methylphenyl)propane-1,2-diamine?
The IUPAC name of 2-N-(5-bromo-4-fluoro-2-methylphenyl)propane-1,2-diamine (CID 107591558) is 2-N-(5-bromo-4-fluoro-2-methylphenyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(5-bromo-4-fluoro-2-methylphenyl)propane-1,2-diamine?
The canonical SMILES for 2-N-(5-bromo-4-fluoro-2-methylphenyl)propane-1,2-diamine is Cc1cc(F)c(Br)cc1NC(C)CN.
What is the InChIKey of 2-N-(5-bromo-4-fluoro-2-methylphenyl)propane-1,2-diamine?
The InChIKey is IQJGVNRKMNGIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrFN2/c1-6-3-9(12)8(11)4-10(6)14-7(2)5-13/h3-4,7,14H,5,13H2,1-2H3.
What are the key properties of 2-N-(5-bromo-4-fluoro-2-methylphenyl)propane-1,2-diamine?
2-N-(5-bromo-4-fluoro-2-methylphenyl)propane-1,2-diamine has a molecular weight of 261.14 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-bromo-4-fluoro-2-methylphenyl)propane-1,2-diamine is sourced from PubChem (CID 107591558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).