N'-[2-(2-bromophenyl)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine

C14H21BrN2 — CID 115207157

IUPACN'-[2-(2-bromophenyl)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine
SMILESCN(CCNC1CC1)CCc1ccccc1Br
InChIInChI=1S/C14H21BrN2/c1-17(11-9-16-13-6-7-13)10-8-12-4-2-3-5-14(12)15/h2-5,13,16H,6-11H2,1H3
InChIKeyFBIJHJCUBIGKEJ-UHFFFAOYSA-N
MW297.24 g/mol
LogP2.68
Rot. Bonds7

About N'-[2-(2-bromophenyl)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine

N'-[2-(2-bromophenyl)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine (PubChem CID 115207157) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is N'-[2-(2-bromophenyl)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(2-bromophenyl)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine
PubChem CID115207157
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC NameN'-[2-(2-bromophenyl)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine
SMILESCN(CCNC1CC1)CCc1ccccc1Br
InChIInChI=1S/C14H21BrN2/c1-17(11-9-16-13-6-7-13)10-8-12-4-2-3-5-14(12)15/h2-5,13,16H,6-11H2,1H3
InChIKeyFBIJHJCUBIGKEJ-UHFFFAOYSA-N
XLogP2.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(2-bromophenyl)propyl]cyclopropanamine
CID 62528627
4-[[2-(2-bromophenyl)ethyl-methylamino]methyl]-N-methylcyclohexan-1-amine
CID 115213756
N'-[(2-bromophenyl)methyl]-N-cyclopropyl-N'-methylbutane-1,4-diamine
CID 62437312
N'-[2-(2-bromophenyl)ethyl]-N-ethyl-N'-methylethane-1,2-diamine
CID 115206136
N'-[2-(5-bromo-2-methoxyphenyl)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 115207139
N'-[(2-bromo-5-fluorophenyl)methyl]-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 113409156
N-[2-(2-bromophenyl)ethyl]oxan-4-amine
CID 115653013
N-cyclopropyl-N'-[2-(4-ethylphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 115207125
N-cyclopropyl-N'-methyl-N'-(naphthalen-1-ylmethyl)ethane-1,2-diamine
CID 55002950
4-[2-(2-bromophenyl)ethylamino]cyclohexane-1-carbonitrile
CID 115150280
1-[2-(2-bromophenyl)ethyl-methylamino]propan-2-one
CID 115235229
1-bromo-2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]benzene
CID 106051888

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-bromophenyl)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[2-(2-bromophenyl)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine (CID 115207157) is N'-[2-(2-bromophenyl)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[2-(2-bromophenyl)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[2-(2-bromophenyl)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine is CN(CCNC1CC1)CCc1ccccc1Br.
What is the InChIKey of N'-[2-(2-bromophenyl)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine?
The InChIKey is FBIJHJCUBIGKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-17(11-9-16-13-6-7-13)10-8-12-4-2-3-5-14(12)15/h2-5,13,16H,6-11H2,1H3.
What are the key properties of N'-[2-(2-bromophenyl)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine?
N'-[2-(2-bromophenyl)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine has a molecular weight of 297.24 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-bromophenyl)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 115207157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).