N-(3-bromophenyl)-N'-ethyl-N'-(2-fluorophenyl)ethane-1,2-diamine

C16H18BrFN2 — CID 63502362

IUPACN-(3-bromophenyl)-N'-ethyl-N'-(2-fluorophenyl)ethane-1,2-diamine
SMILESCCN(CCNc1cccc(Br)c1)c1ccccc1F
InChIInChI=1S/C16H18BrFN2/c1-2-20(16-9-4-3-8-15(16)18)11-10-19-14-7-5-6-13(17)12-14/h3-9,12,19H,2,10-11H2,1H3
InChIKeyKTLWHZRIVLFVKK-UHFFFAOYSA-N
MW337.24 g/mol
LogP4.53
Rot. Bonds6

About N-(3-bromophenyl)-N'-ethyl-N'-(2-fluorophenyl)ethane-1,2-diamine

N-(3-bromophenyl)-N'-ethyl-N'-(2-fluorophenyl)ethane-1,2-diamine (PubChem CID 63502362) has the molecular formula C16H18BrFN2 and a molecular weight of 337.24 g/mol. Its IUPAC name is N-(3-bromophenyl)-N'-ethyl-N'-(2-fluorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-bromophenyl)-N'-ethyl-N'-(2-fluorophenyl)ethane-1,2-diamine
PubChem CID63502362
Molecular FormulaC16H18BrFN2
Molecular Weight337.24 g/mol
Exact Mass336.06
IUPAC NameN-(3-bromophenyl)-N'-ethyl-N'-(2-fluorophenyl)ethane-1,2-diamine
SMILESCCN(CCNc1cccc(Br)c1)c1ccccc1F
InChIInChI=1S/C16H18BrFN2/c1-2-20(16-9-4-3-8-15(16)18)11-10-19-14-7-5-6-13(17)12-14/h3-9,12,19H,2,10-11H2,1H3
InChIKeyKTLWHZRIVLFVKK-UHFFFAOYSA-N
XLogP4.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromophenyl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 62559074
N'-ethyl-N-(3-fluorophenyl)-N'-(2-methylphenyl)ethane-1,2-diamine
CID 63503875
N-(4-bromophenyl)-N'-ethyl-N'-(2-methylphenyl)ethane-1,2-diamine
CID 63503202
N-(3-bromophenyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine
CID 63504087
N'-ethyl-N-(3-fluorophenyl)-N'-(4-fluorophenyl)ethane-1,2-diamine
CID 63502191
N-(3-bromophenyl)-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
CID 112666233
3-bromo-N-octylaniline
CID 43129310
N-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-2-fluoroaniline
CID 79706205
N'-ethyl-N'-(2-methylphenyl)-N-phenylpropane-1,3-diamine
CID 63503025
N-[(5-bromo-3-pyridinyl)methyl]-N-ethyl-2-fluoroaniline
CID 113228063
N-(3-bromophenyl)-N'-[(4-bromothiophen-2-yl)methyl]-N'-methylethane-1,2-diamine
CID 55196446
N-(3-bromophenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 1349692

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-N'-ethyl-N'-(2-fluorophenyl)ethane-1,2-diamine?
The IUPAC name of N-(3-bromophenyl)-N'-ethyl-N'-(2-fluorophenyl)ethane-1,2-diamine (CID 63502362) is N-(3-bromophenyl)-N'-ethyl-N'-(2-fluorophenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(3-bromophenyl)-N'-ethyl-N'-(2-fluorophenyl)ethane-1,2-diamine?
The canonical SMILES for N-(3-bromophenyl)-N'-ethyl-N'-(2-fluorophenyl)ethane-1,2-diamine is CCN(CCNc1cccc(Br)c1)c1ccccc1F.
What is the InChIKey of N-(3-bromophenyl)-N'-ethyl-N'-(2-fluorophenyl)ethane-1,2-diamine?
The InChIKey is KTLWHZRIVLFVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN2/c1-2-20(16-9-4-3-8-15(16)18)11-10-19-14-7-5-6-13(17)12-14/h3-9,12,19H,2,10-11H2,1H3.
What are the key properties of N-(3-bromophenyl)-N'-ethyl-N'-(2-fluorophenyl)ethane-1,2-diamine?
N-(3-bromophenyl)-N'-ethyl-N'-(2-fluorophenyl)ethane-1,2-diamine has a molecular weight of 337.24 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-N'-ethyl-N'-(2-fluorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 63502362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).