N-(5-bromo-2-fluorophenyl)-N',N'-dimethylethane-1,2-diamine

C10H14BrFN2 — CID 43555732

IUPACN-(5-bromo-2-fluorophenyl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1cc(Br)ccc1F
InChIInChI=1S/C10H14BrFN2/c1-14(2)6-5-13-10-7-8(11)3-4-9(10)12/h3-4,7,13H,5-6H2,1-2H3
InChIKeyAYPCUDHBHAZALY-UHFFFAOYSA-N
MW261.14 g/mol
LogP2.56
Rot. Bonds4

About N-(5-bromo-2-fluorophenyl)-N',N'-dimethylethane-1,2-diamine

N-(5-bromo-2-fluorophenyl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 43555732) has the molecular formula C10H14BrFN2 and a molecular weight of 261.14 g/mol. Its IUPAC name is N-(5-bromo-2-fluorophenyl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(5-bromo-2-fluorophenyl)-N',N'-dimethylethane-1,2-diamine
PubChem CID43555732
Molecular FormulaC10H14BrFN2
Molecular Weight261.14 g/mol
Exact Mass260.03
IUPAC NameN-(5-bromo-2-fluorophenyl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1cc(Br)ccc1F
InChIInChI=1S/C10H14BrFN2/c1-14(2)6-5-13-10-7-8(11)3-4-9(10)12/h3-4,7,13H,5-6H2,1-2H3
InChIKeyAYPCUDHBHAZALY-UHFFFAOYSA-N
XLogP2.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.14
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 114525087
N-(2-fluoro-5-methylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28877671
N-(5-bromo-2-chlorophenyl)-N',N'-dimethylethane-1,2-diamine
CID 62914885
N-[4-bromo-2-(trifluoromethyl)phenyl]-N',N'-dimethylethane-1,2-diamine
CID 54918575
1-N-(5-bromo-2-fluorophenyl)-3-methylbutane-1,3-diamine
CID 115200416
5-bromo-2-fluoro-N-(3-methylbut-3-enyl)aniline
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5-bromo-2-fluoro-N-(4-methylpentyl)aniline
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(2R)-1-(5-bromo-2-fluoroanilino)propan-2-ol
CID 93345470
4-bromo-N-[2-(dimethylamino)ethyl]-2-fluorobenzenesulfonamide
CID 86796943
5-bromo-2-fluoro-N-(2-propan-2-yloxyethyl)aniline
CID 61485154
N-(2,4-difluorophenyl)-N',N'-dimethylethane-1,2-diamine
CID 23540138
2-(5-bromo-2-fluorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide
CID 82967482

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-fluorophenyl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(5-bromo-2-fluorophenyl)-N',N'-dimethylethane-1,2-diamine (CID 43555732) is N-(5-bromo-2-fluorophenyl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(5-bromo-2-fluorophenyl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(5-bromo-2-fluorophenyl)-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1cc(Br)ccc1F.
What is the InChIKey of N-(5-bromo-2-fluorophenyl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is AYPCUDHBHAZALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrFN2/c1-14(2)6-5-13-10-7-8(11)3-4-9(10)12/h3-4,7,13H,5-6H2,1-2H3.
What are the key properties of N-(5-bromo-2-fluorophenyl)-N',N'-dimethylethane-1,2-diamine?
N-(5-bromo-2-fluorophenyl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 261.14 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-fluorophenyl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 43555732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).