2-N-(2-bromophenyl)-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine

C16H18BrFN2 — CID 114831536

IUPAC2-N-(2-bromophenyl)-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine
SMILESCC(CN)(Cc1cccc(F)c1)Nc1ccccc1Br
InChIInChI=1S/C16H18BrFN2/c1-16(11-19,10-12-5-4-6-13(18)9-12)20-15-8-3-2-7-14(15)17/h2-9,20H,10-11,19H2,1H3
InChIKeyFDYUUPJXZNLWJZ-UHFFFAOYSA-N
MW337.24 g/mol
LogP3.96
Rot. Bonds5

About 2-N-(2-bromophenyl)-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine

2-N-(2-bromophenyl)-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine (PubChem CID 114831536) has the molecular formula C16H18BrFN2 and a molecular weight of 337.24 g/mol. Its IUPAC name is 2-N-(2-bromophenyl)-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-bromophenyl)-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine
PubChem CID114831536
Molecular FormulaC16H18BrFN2
Molecular Weight337.24 g/mol
Exact Mass336.06
IUPAC Name2-N-(2-bromophenyl)-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine
SMILESCC(CN)(Cc1cccc(F)c1)Nc1ccccc1Br
InChIInChI=1S/C16H18BrFN2/c1-16(11-19,10-12-5-4-6-13(18)9-12)20-15-8-3-2-7-14(15)17/h2-9,20H,10-11,19H2,1H3
InChIKeyFDYUUPJXZNLWJZ-UHFFFAOYSA-N
XLogP3.96
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(2-fluorophenyl)-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831551
2-N-(4-bromo-3-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine
CID 107619429
3-(3-fluorophenyl)-2-methyl-2-(2-methylanilino)propan-1-ol
CID 114834179
2-(2-bromophenyl)-1-(3-fluorophenyl)propan-2-amine
CID 60799082
1-(2-bromophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine
CID 114834058
2-N-(2-bromophenyl)-3-(2-methoxyphenyl)-2-methylpropane-1,2-diamine
CID 65383861
3-(3-fluorophenyl)-2-methyl-2-N-pent-3-ynylpropane-1,2-diamine
CID 114831761
3-(3-fluorophenyl)-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]propane-1,2-diamine
CID 114831765
3-(3-fluorophenyl)-2-methyl-2-N-(3-methylcyclopentyl)propane-1,2-diamine
CID 114831771
1-(3-fluorophenyl)-2-methyl-3-phenylpropan-2-amine
CID 115608470
1,2-bis(3-fluorophenyl)propan-2-amine
CID 60799225
azane;1-(2,2-dimethylpropyl)-3-fluorobenzene
CID 174720332

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-bromophenyl)-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine?
The IUPAC name of 2-N-(2-bromophenyl)-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine (CID 114831536) is 2-N-(2-bromophenyl)-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(2-bromophenyl)-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-(2-bromophenyl)-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine is CC(CN)(Cc1cccc(F)c1)Nc1ccccc1Br.
What is the InChIKey of 2-N-(2-bromophenyl)-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine?
The InChIKey is FDYUUPJXZNLWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN2/c1-16(11-19,10-12-5-4-6-13(18)9-12)20-15-8-3-2-7-14(15)17/h2-9,20H,10-11,19H2,1H3.
What are the key properties of 2-N-(2-bromophenyl)-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine?
2-N-(2-bromophenyl)-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine has a molecular weight of 337.24 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-bromophenyl)-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine is sourced from PubChem (CID 114831536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).