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

C17H20Br2N2 — CID 174586130

IUPAC1-(3-bromophenyl)-N'-[2-(3-bromophenyl)ethyl]-N'-methylethane-1,2-diamine
SMILESCN(CCc1cccc(Br)c1)CC(N)c1cccc(Br)c1
InChIInChI=1S/C17H20Br2N2/c1-21(9-8-13-4-2-6-15(18)10-13)12-17(20)14-5-3-7-16(19)11-14/h2-7,10-11,17H,8-9,12,20H2,1H3
InChIKeyVSBWTGUHKTZFBX-UHFFFAOYSA-N
MW412.17 g/mol
LogP4.39
Rot. Bonds6

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

1-(3-bromophenyl)-N'-[2-(3-bromophenyl)ethyl]-N'-methylethane-1,2-diamine (PubChem CID 174586130) has the molecular formula C17H20Br2N2 and a molecular weight of 412.17 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N'-[2-(3-bromophenyl)ethyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N'-[2-(3-bromophenyl)ethyl]-N'-methylethane-1,2-diamine
PubChem CID174586130
Molecular FormulaC17H20Br2N2
Molecular Weight412.17 g/mol
Exact Mass410.00
IUPAC Name1-(3-bromophenyl)-N'-[2-(3-bromophenyl)ethyl]-N'-methylethane-1,2-diamine
SMILESCN(CCc1cccc(Br)c1)CC(N)c1cccc(Br)c1
InChIInChI=1S/C17H20Br2N2/c1-21(9-8-13-4-2-6-15(18)10-13)12-17(20)14-5-3-7-16(19)11-14/h2-7,10-11,17H,8-9,12,20H2,1H3
InChIKeyVSBWTGUHKTZFBX-UHFFFAOYSA-N
XLogP4.39
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.17
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine
CID 65487295
N-[2-(3-bromophenyl)ethyl]-N,2-dimethylbutane-1,4-diamine
CID 115202853
4-amino-1-[2-(3-bromophenyl)ethyl-methylamino]butan-2-ol
CID 117039318
1-(3-bromophenyl)-3-[methyl(2-phenylethyl)amino]propan-1-ol
CID 65486726
5-[2-(3-bromophenyl)ethyl-methylamino]-4-hydroxypentanoic acid
CID 115122814
3-N-[2-(3-bromophenyl)ethyl]-3-N-methylbenzene-1,3-diamine
CID 117041027
N'-methyl-1-(3-methylphenyl)-N'-propylethane-1,2-diamine
CID 61308176
3-amino-N-[2-(3-bromophenyl)ethyl]-N-methylbutanamide
CID 115154426
(2S)-4-(3-bromophenyl)butan-2-amine
CID 93264333
1-(4-methoxyphenyl)-N'-methyl-N'-(2-phenylethyl)ethane-1,2-diamine
CID 65487404
1-(3-bromophenyl)-N'-methyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine
CID 63864710
3-[2-[methyl(2-methylpropyl)amino]ethyl]aniline
CID 65350312

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N'-[2-(3-bromophenyl)ethyl]-N'-methylethane-1,2-diamine?
The IUPAC name of 1-(3-bromophenyl)-N'-[2-(3-bromophenyl)ethyl]-N'-methylethane-1,2-diamine (CID 174586130) is 1-(3-bromophenyl)-N'-[2-(3-bromophenyl)ethyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for 1-(3-bromophenyl)-N'-[2-(3-bromophenyl)ethyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for 1-(3-bromophenyl)-N'-[2-(3-bromophenyl)ethyl]-N'-methylethane-1,2-diamine is CN(CCc1cccc(Br)c1)CC(N)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N'-[2-(3-bromophenyl)ethyl]-N'-methylethane-1,2-diamine?
The InChIKey is VSBWTGUHKTZFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Br2N2/c1-21(9-8-13-4-2-6-15(18)10-13)12-17(20)14-5-3-7-16(19)11-14/h2-7,10-11,17H,8-9,12,20H2,1H3.
What are the key properties of 1-(3-bromophenyl)-N'-[2-(3-bromophenyl)ethyl]-N'-methylethane-1,2-diamine?
1-(3-bromophenyl)-N'-[2-(3-bromophenyl)ethyl]-N'-methylethane-1,2-diamine has a molecular weight of 412.17 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N'-[2-(3-bromophenyl)ethyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 174586130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).