N'-[(5-bromo-2-chlorophenyl)methyl]-N'-ethylethane-1,2-diamine

C11H16BrClN2 — CID 103102225

IUPACN'-[(5-bromo-2-chlorophenyl)methyl]-N'-ethylethane-1,2-diamine
SMILESCCN(CCN)Cc1cc(Br)ccc1Cl
InChIInChI=1S/C11H16BrClN2/c1-2-15(6-5-14)8-9-7-10(12)3-4-11(9)13/h3-4,7H,2,5-6,8,14H2,1H3
InChIKeyNWINKFPWJYFARD-UHFFFAOYSA-N
MW291.62 g/mol
LogP2.88
Rot. Bonds5

About N'-[(5-bromo-2-chlorophenyl)methyl]-N'-ethylethane-1,2-diamine

N'-[(5-bromo-2-chlorophenyl)methyl]-N'-ethylethane-1,2-diamine (PubChem CID 103102225) has the molecular formula C11H16BrClN2 and a molecular weight of 291.62 g/mol. Its IUPAC name is N'-[(5-bromo-2-chlorophenyl)methyl]-N'-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(5-bromo-2-chlorophenyl)methyl]-N'-ethylethane-1,2-diamine
PubChem CID103102225
Molecular FormulaC11H16BrClN2
Molecular Weight291.62 g/mol
Exact Mass290.02
IUPAC NameN'-[(5-bromo-2-chlorophenyl)methyl]-N'-ethylethane-1,2-diamine
SMILESCCN(CCN)Cc1cc(Br)ccc1Cl
InChIInChI=1S/C11H16BrClN2/c1-2-15(6-5-14)8-9-7-10(12)3-4-11(9)13/h3-4,7H,2,5-6,8,14H2,1H3
InChIKeyNWINKFPWJYFARD-UHFFFAOYSA-N
XLogP2.88
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.62
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-Aminoethyl)((3-bromophenyl)methyl)ethylamine
CID 66568274
(3R)-3-[(E)-2-(5-bromo-2-chlorophenyl)ethenyl]piperidine
CID 44447600
((4-Bromo-2-chlorophenyl)methyl)(methyl)amine
CID 22386925
(5-Bromo-2-chlorophenyl)methanamine
CID 43378979
[(5-Bromo-2-chlorophenyl)methyl](methyl)amine
CID 43378980
(5-Bromo-2-chlorophenyl)methanamine hydrochloride
CID 67437601
5-[(5-Bromo-2-chlorophenyl)methyl]-1,2,3,6-tetrahydropyridine;hydrochloride
CID 45260385
3-[(E)-2-(5-bromo-2-chlorophenyl)ethenyl]piperidine;hydrochloride
CID 45260392
5-[(5-Bromo-2-chlorophenyl)methyl]-4-fluoro-1,2,3,6-tetrahydropyridine;hydrochloride
CID 45264323
N'-[1-(5-bromo-2-chlorophenyl)ethyl]-N'-ethylethane-1,2-diamine
CID 170695977
2-(5-Bromo-2-chlorophenyl)pyrrolidine
CID 3906446
1-(5-Bromo-2-chlorophenyl)ethan-1-amine hydrochloride
CID 122360018

Frequently Asked Questions

What is the IUPAC name of N'-[(5-bromo-2-chlorophenyl)methyl]-N'-ethylethane-1,2-diamine?
The IUPAC name of N'-[(5-bromo-2-chlorophenyl)methyl]-N'-ethylethane-1,2-diamine (CID 103102225) is N'-[(5-bromo-2-chlorophenyl)methyl]-N'-ethylethane-1,2-diamine.
What is the SMILES notation for N'-[(5-bromo-2-chlorophenyl)methyl]-N'-ethylethane-1,2-diamine?
The canonical SMILES for N'-[(5-bromo-2-chlorophenyl)methyl]-N'-ethylethane-1,2-diamine is CCN(CCN)Cc1cc(Br)ccc1Cl.
What is the InChIKey of N'-[(5-bromo-2-chlorophenyl)methyl]-N'-ethylethane-1,2-diamine?
The InChIKey is NWINKFPWJYFARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrClN2/c1-2-15(6-5-14)8-9-7-10(12)3-4-11(9)13/h3-4,7H,2,5-6,8,14H2,1H3.
What are the key properties of N'-[(5-bromo-2-chlorophenyl)methyl]-N'-ethylethane-1,2-diamine?
N'-[(5-bromo-2-chlorophenyl)methyl]-N'-ethylethane-1,2-diamine has a molecular weight of 291.62 g/mol, XLogP of 2.88, 5 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)methyl]-N'-ethylethane-1,2-diamine is sourced from PubChem (CID 103102225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).