4-bromo-5-fluoro-1-N-(2-phenylcyclopropyl)benzene-1,2-diamine

C15H14BrFN2 — CID 66112498

IUPAC4-bromo-5-fluoro-1-N-(2-phenylcyclopropyl)benzene-1,2-diamine
SMILESNc1cc(Br)c(F)cc1NC1CC1c1ccccc1
InChIInChI=1S/C15H14BrFN2/c16-11-7-13(18)15(8-12(11)17)19-14-6-10(14)9-4-2-1-3-5-9/h1-5,7-8,10,14,19H,6,18H2
InChIKeyYDFJACGVIDMQRQ-UHFFFAOYSA-N
MW321.19 g/mol
LogP4.14
Rot. Bonds3

About 4-bromo-5-fluoro-1-N-(2-phenylcyclopropyl)benzene-1,2-diamine

4-bromo-5-fluoro-1-N-(2-phenylcyclopropyl)benzene-1,2-diamine (PubChem CID 66112498) has the molecular formula C15H14BrFN2 and a molecular weight of 321.19 g/mol. Its IUPAC name is 4-bromo-5-fluoro-1-N-(2-phenylcyclopropyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-5-fluoro-1-N-(2-phenylcyclopropyl)benzene-1,2-diamine
PubChem CID66112498
Molecular FormulaC15H14BrFN2
Molecular Weight321.19 g/mol
Exact Mass320.03
IUPAC Name4-bromo-5-fluoro-1-N-(2-phenylcyclopropyl)benzene-1,2-diamine
SMILESNc1cc(Br)c(F)cc1NC1CC1c1ccccc1
InChIInChI=1S/C15H14BrFN2/c16-11-7-13(18)15(8-12(11)17)19-14-6-10(14)9-4-2-1-3-5-9/h1-5,7-8,10,14,19H,6,18H2
InChIKeyYDFJACGVIDMQRQ-UHFFFAOYSA-N
XLogP4.14
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.19
LogP ≤ 54.14
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

4,5-dimethoxy-2-N-(2-phenylcyclopropyl)benzene-1,2-diamine
CID 83004628
4-bromo-5-fluoro-1-N-(2-methylcyclopentyl)benzene-1,2-diamine
CID 66109766
6-N-(2-phenylcyclopropyl)-1H-indazole-5,6-diamine
CID 107489739
4-bromo-N-(2-phenylcyclopropyl)-2-(trifluoromethyl)aniline
CID 65484003
3-bromo-4-[(2-phenylcyclopropyl)amino]benzonitrile
CID 82796868
4-bromo-1-N-(3,4-dihydro-2H-chromen-4-yl)-5-fluorobenzene-1,2-diamine
CID 66112506
2-bromo-3-fluoro-4-[(2-phenylcyclopropyl)amino]benzenecarbothioamide
CID 107534973
2-amino-3-[(2-phenylcyclopropyl)amino]benzenesulfonamide
CID 115992576
4-bromo-5-fluoro-1-N-(2-iodophenyl)benzene-1,2-diamine
CID 66109712
4-bromo-5-fluoro-2-N-(3-methylcyclobutyl)benzene-1,2-diamine
CID 116736273
4-bromo-5-fluoro-1-N-(1-methylpiperidin-4-yl)benzene-1,2-diamine
CID 66111099
4-bromo-5-fluoro-1-N-(3,3,5,5-tetramethylcyclohexyl)benzene-1,2-diamine
CID 103965326

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-fluoro-1-N-(2-phenylcyclopropyl)benzene-1,2-diamine?
The IUPAC name of 4-bromo-5-fluoro-1-N-(2-phenylcyclopropyl)benzene-1,2-diamine (CID 66112498) is 4-bromo-5-fluoro-1-N-(2-phenylcyclopropyl)benzene-1,2-diamine.
What is the SMILES notation for 4-bromo-5-fluoro-1-N-(2-phenylcyclopropyl)benzene-1,2-diamine?
The canonical SMILES for 4-bromo-5-fluoro-1-N-(2-phenylcyclopropyl)benzene-1,2-diamine is Nc1cc(Br)c(F)cc1NC1CC1c1ccccc1.
What is the InChIKey of 4-bromo-5-fluoro-1-N-(2-phenylcyclopropyl)benzene-1,2-diamine?
The InChIKey is YDFJACGVIDMQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2/c16-11-7-13(18)15(8-12(11)17)19-14-6-10(14)9-4-2-1-3-5-9/h1-5,7-8,10,14,19H,6,18H2.
What are the key properties of 4-bromo-5-fluoro-1-N-(2-phenylcyclopropyl)benzene-1,2-diamine?
4-bromo-5-fluoro-1-N-(2-phenylcyclopropyl)benzene-1,2-diamine has a molecular weight of 321.19 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-fluoro-1-N-(2-phenylcyclopropyl)benzene-1,2-diamine is sourced from PubChem (CID 66112498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).