N-[2-(3-bromophenyl)ethyl]-N,2-dimethylbutane-1,4-diamine

C14H23BrN2 — CID 115202853

IUPACN-[2-(3-bromophenyl)ethyl]-N,2-dimethylbutane-1,4-diamine
SMILESCC(CCN)CN(C)CCc1cccc(Br)c1
InChIInChI=1S/C14H23BrN2/c1-12(6-8-16)11-17(2)9-7-13-4-3-5-14(15)10-13/h3-5,10,12H,6-9,11,16H2,1-2H3
InChIKeyGSXFUGUBQICZGV-UHFFFAOYSA-N
MW299.26 g/mol
LogP2.91
Rot. Bonds7

About N-[2-(3-bromophenyl)ethyl]-N,2-dimethylbutane-1,4-diamine

N-[2-(3-bromophenyl)ethyl]-N,2-dimethylbutane-1,4-diamine (PubChem CID 115202853) has the molecular formula C14H23BrN2 and a molecular weight of 299.26 g/mol. Its IUPAC name is N-[2-(3-bromophenyl)ethyl]-N,2-dimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN-[2-(3-bromophenyl)ethyl]-N,2-dimethylbutane-1,4-diamine
PubChem CID115202853
Molecular FormulaC14H23BrN2
Molecular Weight299.26 g/mol
Exact Mass298.10
IUPAC NameN-[2-(3-bromophenyl)ethyl]-N,2-dimethylbutane-1,4-diamine
SMILESCC(CCN)CN(C)CCc1cccc(Br)c1
InChIInChI=1S/C14H23BrN2/c1-12(6-8-16)11-17(2)9-7-13-4-3-5-14(15)10-13/h3-5,10,12H,6-9,11,16H2,1-2H3
InChIKeyGSXFUGUBQICZGV-UHFFFAOYSA-N
XLogP2.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1-[2-(3-bromophenyl)ethyl-methylamino]butan-2-ol
CID 117039318
N-[2-(3-bromo-4-methoxyphenyl)ethyl]-N,2-dimethylbutane-1,4-diamine
CID 115202831
1-(3-bromophenyl)-N'-[2-(3-bromophenyl)ethyl]-N'-methylethane-1,2-diamine
CID 174586130
N-[2-(4-fluorophenyl)ethyl]-N,2-dimethylbutane-1,4-diamine
CID 115202816
N'-[2-(3-fluorophenyl)ethyl]-N',2-dimethylpropane-1,3-diamine
CID 115198892
5-[2-(3-bromophenyl)ethyl-methylamino]-4-hydroxypentanoic acid
CID 115122814
N-[(3-fluorophenyl)methyl]-N,2-dimethylbutane-1,4-diamine
CID 80544158
N-[(3-bromophenyl)methyl]-N,2-dimethylbutan-1-amine
CID 55136782
(2S)-4-(3-bromophenyl)butan-2-amine
CID 93264333
N'-[2-(3-bromophenyl)ethyl]-2-methylbutane-1,4-diamine
CID 115203423
3-amino-N-[2-(3-bromophenyl)ethyl]-N,2-dimethylpropanamide
CID 115153894
3-[(3-bromophenyl)methylsulfinyl]butan-1-amine
CID 81195882

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenyl)ethyl]-N,2-dimethylbutane-1,4-diamine?
The IUPAC name of N-[2-(3-bromophenyl)ethyl]-N,2-dimethylbutane-1,4-diamine (CID 115202853) is N-[2-(3-bromophenyl)ethyl]-N,2-dimethylbutane-1,4-diamine.
What is the SMILES notation for N-[2-(3-bromophenyl)ethyl]-N,2-dimethylbutane-1,4-diamine?
The canonical SMILES for N-[2-(3-bromophenyl)ethyl]-N,2-dimethylbutane-1,4-diamine is CC(CCN)CN(C)CCc1cccc(Br)c1.
What is the InChIKey of N-[2-(3-bromophenyl)ethyl]-N,2-dimethylbutane-1,4-diamine?
The InChIKey is GSXFUGUBQICZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2/c1-12(6-8-16)11-17(2)9-7-13-4-3-5-14(15)10-13/h3-5,10,12H,6-9,11,16H2,1-2H3.
What are the key properties of N-[2-(3-bromophenyl)ethyl]-N,2-dimethylbutane-1,4-diamine?
N-[2-(3-bromophenyl)ethyl]-N,2-dimethylbutane-1,4-diamine has a molecular weight of 299.26 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenyl)ethyl]-N,2-dimethylbutane-1,4-diamine is sourced from PubChem (CID 115202853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).