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

C10H14BrClN2 — CID 62914885

IUPACN-(5-bromo-2-chlorophenyl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1cc(Br)ccc1Cl
InChIInChI=1S/C10H14BrClN2/c1-14(2)6-5-13-10-7-8(11)3-4-9(10)12/h3-4,7,13H,5-6H2,1-2H3
InChIKeyKDXNLLRLOCIAKE-UHFFFAOYSA-N
MW277.59 g/mol
LogP3.08
Rot. Bonds4

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

N-(5-bromo-2-chlorophenyl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 62914885) has the molecular formula C10H14BrClN2 and a molecular weight of 277.59 g/mol. Its IUPAC name is N-(5-bromo-2-chlorophenyl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(5-bromo-2-chlorophenyl)-N',N'-dimethylethane-1,2-diamine
PubChem CID62914885
Molecular FormulaC10H14BrClN2
Molecular Weight277.59 g/mol
Exact Mass276.00
IUPAC NameN-(5-bromo-2-chlorophenyl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1cc(Br)ccc1Cl
InChIInChI=1S/C10H14BrClN2/c1-14(2)6-5-13-10-7-8(11)3-4-9(10)12/h3-4,7,13H,5-6H2,1-2H3
InChIKeyKDXNLLRLOCIAKE-UHFFFAOYSA-N
XLogP3.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.59
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-2-fluorophenyl)-N',N'-dimethylethane-1,2-diamine
CID 43555732
3-(5-bromo-2-chloroanilino)propanenitrile
CID 62914516
N-[4-bromo-2-(trifluoromethyl)phenyl]-N',N'-dimethylethane-1,2-diamine
CID 54918575
5-(5-bromo-2-chloroanilino)pentan-1-ol
CID 62914130
N-(5-bromo-2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 114525087
4-bromo-2-N-[3-(dimethylamino)propyl]benzene-1,2-diamine
CID 65343096
N-(5-chloro-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28562912
5-bromo-2-chloro-N-[(2,5-dimethylphenyl)methyl]aniline
CID 63477043
3-(5-bromo-2-chlorophenyl)-N,N-dimethylpropan-1-amine
CID 170866064
5-bromo-2-chloro-N-(2-chloroprop-2-enyl)aniline
CID 63491940
2-(4-bromo-2-chloroanilino)ethanol
CID 43168185
N-(4-bromo-2-ethylphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 114525227

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chlorophenyl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(5-bromo-2-chlorophenyl)-N',N'-dimethylethane-1,2-diamine (CID 62914885) is N-(5-bromo-2-chlorophenyl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(5-bromo-2-chlorophenyl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(5-bromo-2-chlorophenyl)-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1cc(Br)ccc1Cl.
What is the InChIKey of N-(5-bromo-2-chlorophenyl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is KDXNLLRLOCIAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrClN2/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-chlorophenyl)-N',N'-dimethylethane-1,2-diamine?
N-(5-bromo-2-chlorophenyl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 277.59 g/mol, XLogP of 3.08, 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-chlorophenyl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 62914885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).