N'-[1-(3-bromophenyl)ethyl]-N'-ethylethane-1,2-diamine

C12H19BrN2 — CID 170696016

IUPACN'-[1-(3-bromophenyl)ethyl]-N'-ethylethane-1,2-diamine
SMILESCCN(CCN)C(C)c1cccc(Br)c1
InChIInChI=1S/C12H19BrN2/c1-3-15(8-7-14)10(2)11-5-4-6-12(13)9-11/h4-6,9-10H,3,7-8,14H2,1-2H3
InChIKeyKLGZNGCUJLTDOC-UHFFFAOYSA-N
MW271.20 g/mol
LogP2.79
Rot. Bonds5

About N'-[1-(3-bromophenyl)ethyl]-N'-ethylethane-1,2-diamine

N'-[1-(3-bromophenyl)ethyl]-N'-ethylethane-1,2-diamine (PubChem CID 170696016) has the molecular formula C12H19BrN2 and a molecular weight of 271.20 g/mol. Its IUPAC name is N'-[1-(3-bromophenyl)ethyl]-N'-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-(3-bromophenyl)ethyl]-N'-ethylethane-1,2-diamine
PubChem CID170696016
Molecular FormulaC12H19BrN2
Molecular Weight271.20 g/mol
Exact Mass270.07
IUPAC NameN'-[1-(3-bromophenyl)ethyl]-N'-ethylethane-1,2-diamine
SMILESCCN(CCN)C(C)c1cccc(Br)c1
InChIInChI=1S/C12H19BrN2/c1-3-15(8-7-14)10(2)11-5-4-6-12(13)9-11/h4-6,9-10H,3,7-8,14H2,1-2H3
InChIKeyKLGZNGCUJLTDOC-UHFFFAOYSA-N
XLogP2.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Bretylium
CID 2431
1-(4-Bromophenyl)ethylamine
CID 91175
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3-Bromoamphetamine
CID 15061891
(R)-4-bromo-alpha-methylbenzylamine
CID 853000
1-[(2-Bromophenyl)methyl]-4-methylpiperazine
CID 763870
(2-Amino-1-phenylethyl)dimethylamine
CID 241652
Benzenemethanamine, 3-bromo-N-methyl-
CID 457588
Benzenemethanamine, 3-bromo-N-ethyl-
CID 457589
1-[(4-Bromophenyl)methyl]piperazine
CID 876494
(2-Bromobenzyl)[2-(diethylamino)ethyl]ethylamine
CID 2053516
(4-Bromobenzyl)[2-(diethylamino)ethyl]methylamine
CID 784059

Frequently Asked Questions

What is the IUPAC name of N'-[1-(3-bromophenyl)ethyl]-N'-ethylethane-1,2-diamine?
The IUPAC name of N'-[1-(3-bromophenyl)ethyl]-N'-ethylethane-1,2-diamine (CID 170696016) is N'-[1-(3-bromophenyl)ethyl]-N'-ethylethane-1,2-diamine.
What is the SMILES notation for N'-[1-(3-bromophenyl)ethyl]-N'-ethylethane-1,2-diamine?
The canonical SMILES for N'-[1-(3-bromophenyl)ethyl]-N'-ethylethane-1,2-diamine is CCN(CCN)C(C)c1cccc(Br)c1.
What is the InChIKey of N'-[1-(3-bromophenyl)ethyl]-N'-ethylethane-1,2-diamine?
The InChIKey is KLGZNGCUJLTDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2/c1-3-15(8-7-14)10(2)11-5-4-6-12(13)9-11/h4-6,9-10H,3,7-8,14H2,1-2H3.
What are the key properties of N'-[1-(3-bromophenyl)ethyl]-N'-ethylethane-1,2-diamine?
N'-[1-(3-bromophenyl)ethyl]-N'-ethylethane-1,2-diamine has a molecular weight of 271.20 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(3-bromophenyl)ethyl]-N'-ethylethane-1,2-diamine is sourced from PubChem (CID 170696016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).