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

C16H17BrClFN2 — CID 107619429

IUPAC2-N-(4-bromo-3-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine
SMILESCC(CN)(Cc1cccc(F)c1)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C16H17BrClFN2/c1-16(10-20,9-11-3-2-4-12(19)7-11)21-13-5-6-14(17)15(18)8-13/h2-8,21H,9-10,20H2,1H3
InChIKeyWCKDWJFRZCMPCM-UHFFFAOYSA-N
MW371.68 g/mol
LogP4.61
Rot. Bonds5

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

2-N-(4-bromo-3-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine (PubChem CID 107619429) has the molecular formula C16H17BrClFN2 and a molecular weight of 371.68 g/mol. Its IUPAC name is 2-N-(4-bromo-3-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-bromo-3-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine
PubChem CID107619429
Molecular FormulaC16H17BrClFN2
Molecular Weight371.68 g/mol
Exact Mass370.02
IUPAC Name2-N-(4-bromo-3-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine
SMILESCC(CN)(Cc1cccc(F)c1)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C16H17BrClFN2/c1-16(10-20,9-11-3-2-4-12(19)7-11)21-13-5-6-14(17)15(18)8-13/h2-8,21H,9-10,20H2,1H3
InChIKeyWCKDWJFRZCMPCM-UHFFFAOYSA-N
XLogP4.61
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.68
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(2-bromophenyl)-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831536
2-N-(4-bromo-3-chlorophenyl)-6,6,6-trifluoro-2-methylhexane-1,2-diamine
CID 107619631
2-N-(2-fluorophenyl)-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831551
3-(3-fluorophenyl)-2-methyl-2-N-pent-3-ynylpropane-1,2-diamine
CID 114831761
3-(3-fluorophenyl)-2-methyl-2-N-(3-methylcyclopentyl)propane-1,2-diamine
CID 114831771
2-N-(3-bromo-4-chlorophenyl)-6,6,6-trifluoro-2-methylhexane-1,2-diamine
CID 116535382
1-(3-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-amine
CID 114834017
4-bromo-N-[(3-bromo-5-fluorophenyl)methyl]-3-chloroaniline
CID 107619978
2-(2-bromophenyl)-1-(3-fluorophenyl)propan-2-amine
CID 60799082
azane;1-(2,2-dimethylpropyl)-3-fluorobenzene
CID 174720332
3-(3-fluorophenyl)-2-methyl-2-N-[2-(2-methylprop-2-enoxy)ethyl]propane-1,2-diamine
CID 114831765
1-(4-bromo-3-chlorophenyl)-2-(3-fluorophenyl)ethanol
CID 81307399

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-bromo-3-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine?
The IUPAC name of 2-N-(4-bromo-3-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine (CID 107619429) is 2-N-(4-bromo-3-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(4-bromo-3-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-(4-bromo-3-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine is CC(CN)(Cc1cccc(F)c1)Nc1ccc(Br)c(Cl)c1.
What is the InChIKey of 2-N-(4-bromo-3-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine?
The InChIKey is WCKDWJFRZCMPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClFN2/c1-16(10-20,9-11-3-2-4-12(19)7-11)21-13-5-6-14(17)15(18)8-13/h2-8,21H,9-10,20H2,1H3.
What are the key properties of 2-N-(4-bromo-3-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine?
2-N-(4-bromo-3-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine has a molecular weight of 371.68 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-bromo-3-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine is sourced from PubChem (CID 107619429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).