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

C14H13BrF2N2 — CID 104776408

IUPACN-(3-bromo-4-fluorophenyl)-1-(4-fluorophenyl)ethane-1,2-diamine
SMILESNCC(Nc1ccc(F)c(Br)c1)c1ccc(F)cc1
InChIInChI=1S/C14H13BrF2N2/c15-12-7-11(5-6-13(12)17)19-14(8-18)9-1-3-10(16)4-2-9/h1-7,14,19H,8,18H2
InChIKeyHYQJKXZRKJVVTN-UHFFFAOYSA-N
MW327.17 g/mol
LogP3.84
Rot. Bonds4

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

N-(3-bromo-4-fluorophenyl)-1-(4-fluorophenyl)ethane-1,2-diamine (PubChem CID 104776408) has the molecular formula C14H13BrF2N2 and a molecular weight of 327.17 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)-1-(4-fluorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)-1-(4-fluorophenyl)ethane-1,2-diamine
PubChem CID104776408
Molecular FormulaC14H13BrF2N2
Molecular Weight327.17 g/mol
Exact Mass326.02
IUPAC NameN-(3-bromo-4-fluorophenyl)-1-(4-fluorophenyl)ethane-1,2-diamine
SMILESNCC(Nc1ccc(F)c(Br)c1)c1ccc(F)cc1
InChIInChI=1S/C14H13BrF2N2/c15-12-7-11(5-6-13(12)17)19-14(8-18)9-1-3-10(16)4-2-9/h1-7,14,19H,8,18H2
InChIKeyHYQJKXZRKJVVTN-UHFFFAOYSA-N
XLogP3.84
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3-bromo-4-fluorophenyl)-1-(4-fluorophenyl)ethane-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

N-(3-bromo-4-fluorophenyl)-1-(5-chloro-2-fluorophenyl)ethane-1,2-diamine
CID 114843404
1-(4-bromo-3-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine
CID 81436862
1-(3-bromo-4-fluorophenyl)-N-(2-chloro-5-fluorophenyl)ethane-1,2-diamine
CID 107527797
1-(4-bromo-3-fluorophenyl)-N-(4-bromophenyl)ethane-1,2-diamine
CID 81437083
2-N-(3-bromo-4-fluorophenyl)-3-methylbutane-1,2-diamine
CID 104776446
1-(3-bromo-4-fluorophenyl)-N-(2-bromophenyl)ethane-1,2-diamine
CID 65383419
1-(4-bromo-3-fluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 81437578
N-(3-chloro-4-fluorophenyl)-1-phenylethane-1,2-diamine
CID 82133663
1-(3,4-dichlorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine
CID 65376445
N-(3-bromo-4-fluorophenyl)-1-(2-cyclopropylphenyl)ethane-1,2-diamine
CID 104776277
3-bromo-N-[1-(3,5-difluorophenyl)ethyl]-4-fluoroaniline
CID 104775807
N-(3-bromo-4-fluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethane-1,2-diamine
CID 104776437

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)-1-(4-fluorophenyl)ethane-1,2-diamine?
The IUPAC name of N-(3-bromo-4-fluorophenyl)-1-(4-fluorophenyl)ethane-1,2-diamine (CID 104776408) is N-(3-bromo-4-fluorophenyl)-1-(4-fluorophenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)-1-(4-fluorophenyl)ethane-1,2-diamine?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)-1-(4-fluorophenyl)ethane-1,2-diamine is NCC(Nc1ccc(F)c(Br)c1)c1ccc(F)cc1.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)-1-(4-fluorophenyl)ethane-1,2-diamine?
The InChIKey is HYQJKXZRKJVVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrF2N2/c15-12-7-11(5-6-13(12)17)19-14(8-18)9-1-3-10(16)4-2-9/h1-7,14,19H,8,18H2.
What are the key properties of N-(3-bromo-4-fluorophenyl)-1-(4-fluorophenyl)ethane-1,2-diamine?
N-(3-bromo-4-fluorophenyl)-1-(4-fluorophenyl)ethane-1,2-diamine has a molecular weight of 327.17 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-fluorophenyl)-1-(4-fluorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 104776408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).