2-N-(3-bromophenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine

C12H19BrN2 — CID 115132623

IUPAC2-N-(3-bromophenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCNCC(C)(C)N(C)c1cccc(Br)c1
InChIInChI=1S/C12H19BrN2/c1-12(2,9-14-3)15(4)11-7-5-6-10(13)8-11/h5-8,14H,9H2,1-4H3
InChIKeyKPXYYMBGCSFGSL-UHFFFAOYSA-N
MW271.20 g/mol
LogP2.88
Rot. Bonds4

About 2-N-(3-bromophenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine

2-N-(3-bromophenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine (PubChem CID 115132623) has the molecular formula C12H19BrN2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 2-N-(3-bromophenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-bromophenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine
PubChem CID115132623
Molecular FormulaC12H19BrN2
Molecular Weight271.20 g/mol
Exact Mass270.07
IUPAC Name2-N-(3-bromophenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCNCC(C)(C)N(C)c1cccc(Br)c1
InChIInChI=1S/C12H19BrN2/c1-12(2,9-14-3)15(4)11-7-5-6-10(13)8-11/h5-8,14H,9H2,1-4H3
InChIKeyKPXYYMBGCSFGSL-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(3-bromophenyl)-3-N,3-dimethylbutane-1,3-diamine
CID 115134633
3-(3-bromo-N-methylanilino)-3-methylbutanoic acid
CID 117042384
2-N-(5-bromo-2-fluorophenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115132613
2-(3-bromophenyl)-N,2-dimethylbutan-1-amine
CID 83655766
magnesium;3-bromo-N,N-dimethylaniline;hydride
CID 173417698
1-N,2-N,2-trimethyl-2-N-(4-propan-2-ylsulfanylphenyl)propane-1,2-diamine
CID 115132596
2-[(3-bromophenyl)methoxy]-N,2-dimethylpropan-1-amine
CID 82832000
N-(3-bromophenyl)-N,2,2-trimethylpropanamide
CID 172560742
3-bromo-N-(2-chloroethyl)-N-methylaniline
CID 82119005
2-N-[2-(5-bromo-2-fluorophenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115133025
2-[5-(3-bromophenyl)thiophen-2-yl]-N,2-dimethylpropan-1-amine
CID 84606208
4-(3-bromo-N-methylanilino)-2,2-dimethyl-4-oxobutanoic acid
CID 115165263

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-bromophenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine?
The IUPAC name of 2-N-(3-bromophenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine (CID 115132623) is 2-N-(3-bromophenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(3-bromophenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-(3-bromophenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine is CNCC(C)(C)N(C)c1cccc(Br)c1.
What is the InChIKey of 2-N-(3-bromophenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine?
The InChIKey is KPXYYMBGCSFGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2/c1-12(2,9-14-3)15(4)11-7-5-6-10(13)8-11/h5-8,14H,9H2,1-4H3.
What are the key properties of 2-N-(3-bromophenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine?
2-N-(3-bromophenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine has a molecular weight of 271.20 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-bromophenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine is sourced from PubChem (CID 115132623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).