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

C12H18BrClN2 — CID 170695977

IUPACN'-[1-(5-bromo-2-chlorophenyl)ethyl]-N'-ethylethane-1,2-diamine
SMILESCCN(CCN)C(C)c1cc(Br)ccc1Cl
InChIInChI=1S/C12H18BrClN2/c1-3-16(7-6-15)9(2)11-8-10(13)4-5-12(11)14/h4-5,8-9H,3,6-7,15H2,1-2H3
InChIKeyDQBLOTAJDRGUCX-UHFFFAOYSA-N
MW305.65 g/mol
LogP3.44
Rot. Bonds5

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

N'-[1-(5-bromo-2-chlorophenyl)ethyl]-N'-ethylethane-1,2-diamine (PubChem CID 170695977) has the molecular formula C12H18BrClN2 and a molecular weight of 305.65 g/mol. Its IUPAC name is N'-[1-(5-bromo-2-chlorophenyl)ethyl]-N'-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-(5-bromo-2-chlorophenyl)ethyl]-N'-ethylethane-1,2-diamine
PubChem CID170695977
Molecular FormulaC12H18BrClN2
Molecular Weight305.65 g/mol
Exact Mass304.03
IUPAC NameN'-[1-(5-bromo-2-chlorophenyl)ethyl]-N'-ethylethane-1,2-diamine
SMILESCCN(CCN)C(C)c1cc(Br)ccc1Cl
InChIInChI=1S/C12H18BrClN2/c1-3-16(7-6-15)9(2)11-8-10(13)4-5-12(11)14/h4-5,8-9H,3,6-7,15H2,1-2H3
InChIKeyDQBLOTAJDRGUCX-UHFFFAOYSA-N
XLogP3.44
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.65
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-Amino-1-(2-Chlorophenyl)Ethyl]Dimethylamine
CID 3158580
N'-[1-(3-bromo-2-fluorophenyl)ethyl]-N'-ethylethane-1,2-diamine
CID 170695987
N'-[1-(5-bromo-2-fluorophenyl)ethyl]-N'-ethylethane-1,2-diamine
CID 170696013
(2-Amino-1-(2-chlorophenyl)ethyl)diethylamine
CID 3798106
[(5-Bromo-2-chlorophenyl)methyl](methyl)amine
CID 43378980
5-[(5-Bromo-2-chlorophenyl)methyl]-1,2,3,6-tetrahydropyridine;hydrochloride
CID 45260385
N'-[(5-bromo-2-chlorophenyl)methyl]-N'-ethylethane-1,2-diamine
CID 103102225
N'-[1-(3-bromophenyl)propyl]-N'-ethylethane-1,2-diamine
CID 170695990
N'-[1-(3-bromophenyl)ethyl]-N'-ethylethane-1,2-diamine
CID 170696016
2-(5-Bromo-2-chlorophenyl)pyrrolidine
CID 3906446
1-(5-Bromo-2-chlorophenyl)ethan-1-amine hydrochloride
CID 122360018
N'-[(3-bromo-2-chlorophenyl)methyl]-N'-ethylethane-1,2-diamine
CID 103102202

Frequently Asked Questions

What is the IUPAC name of N'-[1-(5-bromo-2-chlorophenyl)ethyl]-N'-ethylethane-1,2-diamine?
The IUPAC name of N'-[1-(5-bromo-2-chlorophenyl)ethyl]-N'-ethylethane-1,2-diamine (CID 170695977) is N'-[1-(5-bromo-2-chlorophenyl)ethyl]-N'-ethylethane-1,2-diamine.
What is the SMILES notation for N'-[1-(5-bromo-2-chlorophenyl)ethyl]-N'-ethylethane-1,2-diamine?
The canonical SMILES for N'-[1-(5-bromo-2-chlorophenyl)ethyl]-N'-ethylethane-1,2-diamine is CCN(CCN)C(C)c1cc(Br)ccc1Cl.
What is the InChIKey of N'-[1-(5-bromo-2-chlorophenyl)ethyl]-N'-ethylethane-1,2-diamine?
The InChIKey is DQBLOTAJDRGUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrClN2/c1-3-16(7-6-15)9(2)11-8-10(13)4-5-12(11)14/h4-5,8-9H,3,6-7,15H2,1-2H3.
What are the key properties of N'-[1-(5-bromo-2-chlorophenyl)ethyl]-N'-ethylethane-1,2-diamine?
N'-[1-(5-bromo-2-chlorophenyl)ethyl]-N'-ethylethane-1,2-diamine has a molecular weight of 305.65 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(5-bromo-2-chlorophenyl)ethyl]-N'-ethylethane-1,2-diamine is sourced from PubChem (CID 170695977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).