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

C15H16BrFN2 — CID 63504087

IUPACN-(3-bromophenyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine
SMILESCN(CCNc1cccc(Br)c1)c1ccc(F)cc1
InChIInChI=1S/C15H16BrFN2/c1-19(15-7-5-13(17)6-8-15)10-9-18-14-4-2-3-12(16)11-14/h2-8,11,18H,9-10H2,1H3
InChIKeyJWQQFASARJLXOB-UHFFFAOYSA-N
MW323.21 g/mol
LogP4.14
Rot. Bonds5

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

N-(3-bromophenyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine (PubChem CID 63504087) has the molecular formula C15H16BrFN2 and a molecular weight of 323.21 g/mol. Its IUPAC name is N-(3-bromophenyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-bromophenyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine
PubChem CID63504087
Molecular FormulaC15H16BrFN2
Molecular Weight323.21 g/mol
Exact Mass322.05
IUPAC NameN-(3-bromophenyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine
SMILESCN(CCNc1cccc(Br)c1)c1ccc(F)cc1
InChIInChI=1S/C15H16BrFN2/c1-19(15-7-5-13(17)6-8-15)10-9-18-14-4-2-3-12(16)11-14/h2-8,11,18H,9-10H2,1H3
InChIKeyJWQQFASARJLXOB-UHFFFAOYSA-N
XLogP4.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.21
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-fluorophenyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine
CID 62553754
N-(3-bromophenyl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 62559074
N'-(3,5-dimethylphenyl)-N'-methyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 63501684
ethane;N'-methyl-N,N'-diphenylethane-1,2-diamine
CID 142921032
N'-ethyl-N-(3-fluorophenyl)-N'-(4-fluorophenyl)ethane-1,2-diamine
CID 63502191
N-(3-bromophenyl)-N'-[(5-bromothiophen-3-yl)methyl]-N'-methylethane-1,2-diamine
CID 55197214
N-(3-bromophenyl)-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine
CID 62558207
N-(3-bromophenyl)-N'-[(4-bromothiophen-2-yl)methyl]-N'-methylethane-1,2-diamine
CID 55196446
N-(3-bromophenyl)-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
CID 112666233
N-(3-bromophenyl)-N'-ethyl-N'-(2-fluorophenyl)ethane-1,2-diamine
CID 63502362
N-(3-bromophenyl)-N'-methyl-N'-(2-methylcyclohexyl)ethane-1,2-diamine
CID 63504280
N-(3,3-dimethylbutyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine
CID 62555230

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N-(3-bromophenyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine (CID 63504087) is N-(3-bromophenyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(3-bromophenyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(3-bromophenyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine is CN(CCNc1cccc(Br)c1)c1ccc(F)cc1.
What is the InChIKey of N-(3-bromophenyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine?
The InChIKey is JWQQFASARJLXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2/c1-19(15-7-5-13(17)6-8-15)10-9-18-14-4-2-3-12(16)11-14/h2-8,11,18H,9-10H2,1H3.
What are the key properties of N-(3-bromophenyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine?
N-(3-bromophenyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine has a molecular weight of 323.21 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 63504087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).