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

C12H17BrN2 — CID 62575788

IUPACN-(2-bromophenyl)-N'-cyclopropyl-N'-methylethane-1,2-diamine
SMILESCN(CCNc1ccccc1Br)C1CC1
InChIInChI=1S/C12H17BrN2/c1-15(10-6-7-10)9-8-14-12-5-3-2-4-11(12)13/h2-5,10,14H,6-9H2,1H3
InChIKeyVUEPTLUCWWRKCE-UHFFFAOYSA-N
MW269.19 g/mol
LogP2.96
Rot. Bonds5

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

N-(2-bromophenyl)-N'-cyclopropyl-N'-methylethane-1,2-diamine (PubChem CID 62575788) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is N-(2-bromophenyl)-N'-cyclopropyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-bromophenyl)-N'-cyclopropyl-N'-methylethane-1,2-diamine
PubChem CID62575788
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC NameN-(2-bromophenyl)-N'-cyclopropyl-N'-methylethane-1,2-diamine
SMILESCN(CCNc1ccccc1Br)C1CC1
InChIInChI=1S/C12H17BrN2/c1-15(10-6-7-10)9-8-14-12-5-3-2-4-11(12)13/h2-5,10,14H,6-9H2,1H3
InChIKeyVUEPTLUCWWRKCE-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 62561241
2-N-[2-[cyclopropyl(methyl)amino]ethyl]benzene-1,2-diamine
CID 62975524
2-bromo-1-N-[2-[cyclopropyl(methyl)amino]ethyl]benzene-1,4-diamine
CID 62976081
N'-cyclopropyl-N-(2-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine
CID 55142006
N-(3-bromo-4-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 104777050
N'-cyclopentyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 55085570
N-(2-bromophenyl)-N'-methyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62560557
N'-cyclopropyl-N'-methyl-N-quinolin-4-ylethane-1,2-diamine
CID 62979742
N-(2-bromo-4-nitrophenyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 63318624
3-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylbenzene-1,3-diamine
CID 63314499
N-(2-bromophenyl)-N'-butan-2-yl-N'-ethylethane-1,2-diamine
CID 62561481
3-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzene-1,3-diamine
CID 62977758

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-N'-cyclopropyl-N'-methylethane-1,2-diamine?
The IUPAC name of N-(2-bromophenyl)-N'-cyclopropyl-N'-methylethane-1,2-diamine (CID 62575788) is N-(2-bromophenyl)-N'-cyclopropyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(2-bromophenyl)-N'-cyclopropyl-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(2-bromophenyl)-N'-cyclopropyl-N'-methylethane-1,2-diamine is CN(CCNc1ccccc1Br)C1CC1.
What is the InChIKey of N-(2-bromophenyl)-N'-cyclopropyl-N'-methylethane-1,2-diamine?
The InChIKey is VUEPTLUCWWRKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2/c1-15(10-6-7-10)9-8-14-12-5-3-2-4-11(12)13/h2-5,10,14H,6-9H2,1H3.
What are the key properties of N-(2-bromophenyl)-N'-cyclopropyl-N'-methylethane-1,2-diamine?
N-(2-bromophenyl)-N'-cyclopropyl-N'-methylethane-1,2-diamine has a molecular weight of 269.19 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-N'-cyclopropyl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62575788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).