1-N-(4-bromo-2-fluorophenyl)-2-methylpropane-1,2-diamine

C10H14BrFN2 — CID 130588833

IUPAC1-N-(4-bromo-2-fluorophenyl)-2-methylpropane-1,2-diamine
SMILESCC(C)(N)CNc1ccc(Br)cc1F
InChIInChI=1S/C10H14BrFN2/c1-10(2,13)6-14-9-4-3-7(11)5-8(9)12/h3-5,14H,6,13H2,1-2H3
InChIKeyFVBVNVKGVZTGRC-UHFFFAOYSA-N
MW261.14 g/mol
LogP2.74
Rot. Bonds3

About 1-N-(4-bromo-2-fluorophenyl)-2-methylpropane-1,2-diamine

1-N-(4-bromo-2-fluorophenyl)-2-methylpropane-1,2-diamine (PubChem CID 130588833) has the molecular formula C10H14BrFN2 and a molecular weight of 261.14 g/mol. Its IUPAC name is 1-N-(4-bromo-2-fluorophenyl)-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(4-bromo-2-fluorophenyl)-2-methylpropane-1,2-diamine
PubChem CID130588833
Molecular FormulaC10H14BrFN2
Molecular Weight261.14 g/mol
Exact Mass260.03
IUPAC Name1-N-(4-bromo-2-fluorophenyl)-2-methylpropane-1,2-diamine
SMILESCC(C)(N)CNc1ccc(Br)cc1F
InChIInChI=1S/C10H14BrFN2/c1-10(2,13)6-14-9-4-3-7(11)5-8(9)12/h3-5,14H,6,13H2,1-2H3
InChIKeyFVBVNVKGVZTGRC-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-amino-2-methylpropyl)sulfanyl-N-(4-bromo-2-fluorophenyl)acetamide
CID 66230883
4-[(2-amino-2-methylpropyl)amino]-3-fluorobenzenesulfonamide
CID 115303754
4-bromo-2-fluoro-N-(2-methylsulfonylethyl)aniline
CID 60916324
2-(4-bromo-2-fluoroanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60688294
tert-butyl N-(4-bromo-2-fluorophenyl)carbamate
CID 22736228
1-N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methylpropane-1,2-diamine
CID 115136189
N-(4-bromo-2-fluorophenyl)-2-fluoro-2-methylpropanamide
CID 130165280
1-N-(5-bromo-2-fluorophenyl)-3-methylbutane-1,3-diamine
CID 115200416
(4-bromo-2-fluorophenyl)hydrazine;hydrobromide
CID 138619628
5-(aminomethyl)-N-(4-bromo-2-fluorophenyl)-2-methylthiophene-3-sulfonamide
CID 106058485
4-bromo-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-fluoroaniline
CID 102830284
4-bromo-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 43663168

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-bromo-2-fluorophenyl)-2-methylpropane-1,2-diamine?
The IUPAC name of 1-N-(4-bromo-2-fluorophenyl)-2-methylpropane-1,2-diamine (CID 130588833) is 1-N-(4-bromo-2-fluorophenyl)-2-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(4-bromo-2-fluorophenyl)-2-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-(4-bromo-2-fluorophenyl)-2-methylpropane-1,2-diamine is CC(C)(N)CNc1ccc(Br)cc1F.
What is the InChIKey of 1-N-(4-bromo-2-fluorophenyl)-2-methylpropane-1,2-diamine?
The InChIKey is FVBVNVKGVZTGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrFN2/c1-10(2,13)6-14-9-4-3-7(11)5-8(9)12/h3-5,14H,6,13H2,1-2H3.
What are the key properties of 1-N-(4-bromo-2-fluorophenyl)-2-methylpropane-1,2-diamine?
1-N-(4-bromo-2-fluorophenyl)-2-methylpropane-1,2-diamine has a molecular weight of 261.14 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-bromo-2-fluorophenyl)-2-methylpropane-1,2-diamine is sourced from PubChem (CID 130588833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).