N-(2-bromophenyl)-N'-butan-2-yl-N'-ethylethane-1,2-diamine

C14H23BrN2 — CID 62561481

IUPACN-(2-bromophenyl)-N'-butan-2-yl-N'-ethylethane-1,2-diamine
SMILESCCC(C)N(CC)CCNc1ccccc1Br
InChIInChI=1S/C14H23BrN2/c1-4-12(3)17(5-2)11-10-16-14-9-7-6-8-13(14)15/h6-9,12,16H,4-5,10-11H2,1-3H3
InChIKeyRKVKJHANHPGQJW-UHFFFAOYSA-N
MW299.26 g/mol
LogP3.98
Rot. Bonds7

About N-(2-bromophenyl)-N'-butan-2-yl-N'-ethylethane-1,2-diamine

N-(2-bromophenyl)-N'-butan-2-yl-N'-ethylethane-1,2-diamine (PubChem CID 62561481) has the molecular formula C14H23BrN2 and a molecular weight of 299.26 g/mol. Its IUPAC name is N-(2-bromophenyl)-N'-butan-2-yl-N'-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-bromophenyl)-N'-butan-2-yl-N'-ethylethane-1,2-diamine
PubChem CID62561481
Molecular FormulaC14H23BrN2
Molecular Weight299.26 g/mol
Exact Mass298.10
IUPAC NameN-(2-bromophenyl)-N'-butan-2-yl-N'-ethylethane-1,2-diamine
SMILESCCC(C)N(CC)CCNc1ccccc1Br
InChIInChI=1S/C14H23BrN2/c1-4-12(3)17(5-2)11-10-16-14-9-7-6-8-13(14)15/h6-9,12,16H,4-5,10-11H2,1-3H3
InChIKeyRKVKJHANHPGQJW-UHFFFAOYSA-N
XLogP3.98
TPSA15.27 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 ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromophenyl)-N'-methyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62560557
N'-butan-2-yl-N'-ethyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 62561849
N-(2-bromophenyl)-N'-ethyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine
CID 55089120
2-N-[2-(2-chloroanilino)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191788
N'-butan-2-yl-N'-butyl-N-(2-chlorophenyl)ethane-1,2-diamine
CID 55195116
N'-butan-2-yl-N'-butyl-N-(2-fluorophenyl)ethane-1,2-diamine
CID 63502082
N-(2-bromophenyl)-N'-cyclopropyl-N'-methylethane-1,2-diamine
CID 62575788
2-bromo-N-ethylaniline;hydrobromide
CID 175521152
N-(2-fluorophenyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine
CID 55089691
2-bromo-N-butan-2-ylaniline
CID 43194515
2-bromo-6-[2-(diethylamino)ethylamino]benzonitrile
CID 114880409
2-N-(2-anilinoethyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103189572

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-N'-butan-2-yl-N'-ethylethane-1,2-diamine?
The IUPAC name of N-(2-bromophenyl)-N'-butan-2-yl-N'-ethylethane-1,2-diamine (CID 62561481) is N-(2-bromophenyl)-N'-butan-2-yl-N'-ethylethane-1,2-diamine.
What is the SMILES notation for N-(2-bromophenyl)-N'-butan-2-yl-N'-ethylethane-1,2-diamine?
The canonical SMILES for N-(2-bromophenyl)-N'-butan-2-yl-N'-ethylethane-1,2-diamine is CCC(C)N(CC)CCNc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-N'-butan-2-yl-N'-ethylethane-1,2-diamine?
The InChIKey is RKVKJHANHPGQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2/c1-4-12(3)17(5-2)11-10-16-14-9-7-6-8-13(14)15/h6-9,12,16H,4-5,10-11H2,1-3H3.
What are the key properties of N-(2-bromophenyl)-N'-butan-2-yl-N'-ethylethane-1,2-diamine?
N-(2-bromophenyl)-N'-butan-2-yl-N'-ethylethane-1,2-diamine has a molecular weight of 299.26 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-N'-butan-2-yl-N'-ethylethane-1,2-diamine is sourced from PubChem (CID 62561481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).