N'-[1-(3-bromo-4-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine

C11H16BrFN2 — CID 62915186

IUPACN'-[1-(3-bromo-4-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine
SMILESCC(c1ccc(F)c(Br)c1)N(C)CCN
InChIInChI=1S/C11H16BrFN2/c1-8(15(2)6-5-14)9-3-4-11(13)10(12)7-9/h3-4,7-8H,5-6,14H2,1-2H3
InChIKeyJOWXDQBJXSUAMQ-UHFFFAOYSA-N
MW275.17 g/mol
LogP2.54
Rot. Bonds4

About N'-[1-(3-bromo-4-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine

N'-[1-(3-bromo-4-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine (PubChem CID 62915186) has the molecular formula C11H16BrFN2 and a molecular weight of 275.17 g/mol. Its IUPAC name is N'-[1-(3-bromo-4-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-(3-bromo-4-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine
PubChem CID62915186
Molecular FormulaC11H16BrFN2
Molecular Weight275.17 g/mol
Exact Mass274.05
IUPAC NameN'-[1-(3-bromo-4-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine
SMILESCC(c1ccc(F)c(Br)c1)N(C)CCN
InChIInChI=1S/C11H16BrFN2/c1-8(15(2)6-5-14)9-3-4-11(13)10(12)7-9/h3-4,7-8H,5-6,14H2,1-2H3
InChIKeyJOWXDQBJXSUAMQ-UHFFFAOYSA-N
XLogP2.54
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.17
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[1-(3,4-dimethoxyphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 62682391
1-(3-bromo-4-fluorophenyl)-N-(2-methoxyethyl)-N-methylethane-1,2-diamine
CID 61427687
N'-[1-[4-(dimethylamino)phenyl]ethyl]-N'-methylethane-1,2-diamine
CID 62682189
N'-methyl-N'-[1-[4-(trifluoromethyl)phenyl]ethyl]ethane-1,2-diamine
CID 62682731
2-bromo-1-fluoro-4-(1-fluoroethyl)benzene
CID 84686324
1-(3-bromo-4-fluorophenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
CID 43269361
N-[1-(3-bromo-4-fluorophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 43754836
(1S,2S)-1-(3-bromo-4-fluorophenyl)butane-1,2-diamine
CID 130863016
N-[1-(3-bromo-4-fluorophenyl)ethyl]-N-ethylazetidin-3-amine
CID 66183997
1-(3,4-difluorophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethanamine
CID 78837029
2-(3-bromo-4-fluorophenyl)-2-methoxyethanamine
CID 66070724
1-(3-bromo-4-fluorophenyl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine
CID 60893474

Frequently Asked Questions

What is the IUPAC name of N'-[1-(3-bromo-4-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[1-(3-bromo-4-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine (CID 62915186) is N'-[1-(3-bromo-4-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[1-(3-bromo-4-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[1-(3-bromo-4-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine is CC(c1ccc(F)c(Br)c1)N(C)CCN.
What is the InChIKey of N'-[1-(3-bromo-4-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine?
The InChIKey is JOWXDQBJXSUAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrFN2/c1-8(15(2)6-5-14)9-3-4-11(13)10(12)7-9/h3-4,7-8H,5-6,14H2,1-2H3.
What are the key properties of N'-[1-(3-bromo-4-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine?
N'-[1-(3-bromo-4-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine has a molecular weight of 275.17 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(3-bromo-4-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62915186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).