2-N-(4-bromophenyl)-3-(2-fluorophenyl)-2-methylpropane-1,2-diamine

C16H18BrFN2 — CID 114831540

IUPAC2-N-(4-bromophenyl)-3-(2-fluorophenyl)-2-methylpropane-1,2-diamine
SMILESCC(CN)(Cc1ccccc1F)Nc1ccc(Br)cc1
InChIInChI=1S/C16H18BrFN2/c1-16(11-19,10-12-4-2-3-5-15(12)18)20-14-8-6-13(17)7-9-14/h2-9,20H,10-11,19H2,1H3
InChIKeyXYLMQBLRKWZVPW-UHFFFAOYSA-N
MW337.24 g/mol
LogP3.96
Rot. Bonds5

About 2-N-(4-bromophenyl)-3-(2-fluorophenyl)-2-methylpropane-1,2-diamine

2-N-(4-bromophenyl)-3-(2-fluorophenyl)-2-methylpropane-1,2-diamine (PubChem CID 114831540) has the molecular formula C16H18BrFN2 and a molecular weight of 337.24 g/mol. Its IUPAC name is 2-N-(4-bromophenyl)-3-(2-fluorophenyl)-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-bromophenyl)-3-(2-fluorophenyl)-2-methylpropane-1,2-diamine
PubChem CID114831540
Molecular FormulaC16H18BrFN2
Molecular Weight337.24 g/mol
Exact Mass336.06
IUPAC Name2-N-(4-bromophenyl)-3-(2-fluorophenyl)-2-methylpropane-1,2-diamine
SMILESCC(CN)(Cc1ccccc1F)Nc1ccc(Br)cc1
InChIInChI=1S/C16H18BrFN2/c1-16(11-19,10-12-4-2-3-5-15(12)18)20-14-8-6-13(17)7-9-14/h2-9,20H,10-11,19H2,1H3
InChIKeyXYLMQBLRKWZVPW-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

Analyze 2-N-(4-bromophenyl)-3-(2-fluorophenyl)-2-methylpropane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-fluorophenyl)-2-methyl-2-N-(4-methylphenyl)propane-1,2-diamine
CID 114831558
2-N,3-bis(2-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831552
2-N-(4-bromophenyl)-2-methylbutane-1,2-diamine
CID 65385972
2-(4-bromophenyl)-1-(2-fluorophenyl)propan-2-amine
CID 60799509
3-(2-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 62739574
2-N-(4-bromophenyl)-6,6,6-trifluoro-2-methylhexane-1,2-diamine
CID 116535351
2-N-cyclohexyl-3-(2-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831506
2-N-(4-bromophenyl)-4-methoxy-2-methylbutane-1,2-diamine
CID 65384910
2-[(2-fluorophenyl)methyl]-2-methylbutan-1-amine
CID 62725307
3-(2-fluorophenyl)-2-N-hex-1-yn-3-yl-2-methylpropane-1,2-diamine
CID 106228166
2-(2-fluoroanilino)-3-(2-fluorophenyl)-2-methylpropan-1-ol
CID 114834230
1-(2-fluorophenyl)-2-methylpropan-2-amine;hydrochloride
CID 70701058

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-bromophenyl)-3-(2-fluorophenyl)-2-methylpropane-1,2-diamine?
The IUPAC name of 2-N-(4-bromophenyl)-3-(2-fluorophenyl)-2-methylpropane-1,2-diamine (CID 114831540) is 2-N-(4-bromophenyl)-3-(2-fluorophenyl)-2-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(4-bromophenyl)-3-(2-fluorophenyl)-2-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-(4-bromophenyl)-3-(2-fluorophenyl)-2-methylpropane-1,2-diamine is CC(CN)(Cc1ccccc1F)Nc1ccc(Br)cc1.
What is the InChIKey of 2-N-(4-bromophenyl)-3-(2-fluorophenyl)-2-methylpropane-1,2-diamine?
The InChIKey is XYLMQBLRKWZVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN2/c1-16(11-19,10-12-4-2-3-5-15(12)18)20-14-8-6-13(17)7-9-14/h2-9,20H,10-11,19H2,1H3.
What are the key properties of 2-N-(4-bromophenyl)-3-(2-fluorophenyl)-2-methylpropane-1,2-diamine?
2-N-(4-bromophenyl)-3-(2-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-(4-bromophenyl)-3-(2-fluorophenyl)-2-methylpropane-1,2-diamine is sourced from PubChem (CID 114831540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).