1-(2-bromo-5-chlorophenyl)-N-ethyl-N-methylethane-1,2-diamine

C11H16BrClN2 — CID 66157032

IUPAC1-(2-bromo-5-chlorophenyl)-N-ethyl-N-methylethane-1,2-diamine
SMILESCCN(C)C(CN)c1cc(Cl)ccc1Br
InChIInChI=1S/C11H16BrClN2/c1-3-15(2)11(7-14)9-6-8(13)4-5-10(9)12/h4-6,11H,3,7,14H2,1-2H3
InChIKeyATKWZAMWPYQDEJ-UHFFFAOYSA-N
MW291.62 g/mol
LogP3.05
Rot. Bonds4

About 1-(2-bromo-5-chlorophenyl)-N-ethyl-N-methylethane-1,2-diamine

1-(2-bromo-5-chlorophenyl)-N-ethyl-N-methylethane-1,2-diamine (PubChem CID 66157032) has the molecular formula C11H16BrClN2 and a molecular weight of 291.62 g/mol. Its IUPAC name is 1-(2-bromo-5-chlorophenyl)-N-ethyl-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-bromo-5-chlorophenyl)-N-ethyl-N-methylethane-1,2-diamine
PubChem CID66157032
Molecular FormulaC11H16BrClN2
Molecular Weight291.62 g/mol
Exact Mass290.02
IUPAC Name1-(2-bromo-5-chlorophenyl)-N-ethyl-N-methylethane-1,2-diamine
SMILESCCN(C)C(CN)c1cc(Cl)ccc1Br
InChIInChI=1S/C11H16BrClN2/c1-3-15(2)11(7-14)9-6-8(13)4-5-10(9)12/h4-6,11H,3,7,14H2,1-2H3
InChIKeyATKWZAMWPYQDEJ-UHFFFAOYSA-N
XLogP3.05
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.62
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-chlorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 66157436
1-(2-bromo-5-chlorophenyl)-N-(2-methoxyethyl)-N-methylethane-1,2-diamine
CID 66158412
1-(2-bromo-5-chlorophenyl)-N-(3-methoxypropyl)-N-methylethane-1,2-diamine
CID 66158220
1-(2-bromo-5-chlorophenyl)-N-ethyl-N-(1-methoxypropan-2-yl)ethane-1,2-diamine
CID 66158415
1-(2-bromo-5-chlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 66155848
1-(2-bromo-5-chlorophenyl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine
CID 66156239
1-(5-chloro-2-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine
CID 114842862
1-(2-bromo-5-chlorophenyl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine
CID 66158019
1-(2-bromo-5-chlorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
CID 82948577
1-(2-bromo-5-chlorophenyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 66156837
(1S)-1-(2-bromo-5-chlorophenyl)propane-1,3-diamine;hydrochloride
CID 171223288
N-[(4-bromophenyl)methyl]-1-(4-chloro-2-fluorophenyl)-N-methylethane-1,2-diamine
CID 114842949

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-chlorophenyl)-N-ethyl-N-methylethane-1,2-diamine?
The IUPAC name of 1-(2-bromo-5-chlorophenyl)-N-ethyl-N-methylethane-1,2-diamine (CID 66157032) is 1-(2-bromo-5-chlorophenyl)-N-ethyl-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(2-bromo-5-chlorophenyl)-N-ethyl-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(2-bromo-5-chlorophenyl)-N-ethyl-N-methylethane-1,2-diamine is CCN(C)C(CN)c1cc(Cl)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-chlorophenyl)-N-ethyl-N-methylethane-1,2-diamine?
The InChIKey is ATKWZAMWPYQDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrClN2/c1-3-15(2)11(7-14)9-6-8(13)4-5-10(9)12/h4-6,11H,3,7,14H2,1-2H3.
What are the key properties of 1-(2-bromo-5-chlorophenyl)-N-ethyl-N-methylethane-1,2-diamine?
1-(2-bromo-5-chlorophenyl)-N-ethyl-N-methylethane-1,2-diamine has a molecular weight of 291.62 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-chlorophenyl)-N-ethyl-N-methylethane-1,2-diamine is sourced from PubChem (CID 66157032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).