N-(4-bromo-2,6-dimethylphenyl)-N',N'-dimethylpropane-1,3-diamine

C13H21BrN2 — CID 114525062

IUPACN-(4-bromo-2,6-dimethylphenyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCc1cc(Br)cc(C)c1NCCCN(C)C
InChIInChI=1S/C13H21BrN2/c1-10-8-12(14)9-11(2)13(10)15-6-5-7-16(3)4/h8-9,15H,5-7H2,1-4H3
InChIKeyCAISOPFEOQXQIV-UHFFFAOYSA-N
MW285.23 g/mol
LogP3.43
Rot. Bonds5

About N-(4-bromo-2,6-dimethylphenyl)-N',N'-dimethylpropane-1,3-diamine

N-(4-bromo-2,6-dimethylphenyl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 114525062) has the molecular formula C13H21BrN2 and a molecular weight of 285.23 g/mol. Its IUPAC name is N-(4-bromo-2,6-dimethylphenyl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(4-bromo-2,6-dimethylphenyl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID114525062
Molecular FormulaC13H21BrN2
Molecular Weight285.23 g/mol
Exact Mass284.09
IUPAC NameN-(4-bromo-2,6-dimethylphenyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCc1cc(Br)cc(C)c1NCCCN(C)C
InChIInChI=1S/C13H21BrN2/c1-10-8-12(14)9-11(2)13(10)15-6-5-7-16(3)4/h8-9,15H,5-7H2,1-4H3
InChIKeyCAISOPFEOQXQIV-UHFFFAOYSA-N
XLogP3.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N',N'-dimethyl-N-(2,4,6-tribromophenyl)propane-1,3-diamine
CID 114525073
N'-methyl-N'-[3-(2,4,6-trimethylanilino)propyl]-N-(2,4,6-trimethylphenyl)propane-1,3-diamine
CID 18441321
N-(5-bromo-3-methyl-2-pyridinyl)-N',N'-dimethylbutane-1,4-diamine
CID 79717787
N-(2-bromo-4,6-difluorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 114525080
3-(2-chloro-4,6-dimethylanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 109016959
N-(3-fluoro-5-methylphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 114525201
4-bromo-2-methoxy-6-methyl-N-(3-methylsulfanylpropyl)aniline
CID 60943372
5-bromo-N-[3-(dimethylamino)propyl]-2-methylbenzenesulfonamide
CID 8513346
N-(5-bromo-2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 114525087
4-bromo-2-N-[3-(dimethylamino)propyl]benzene-1,2-diamine
CID 65343096
(2R)-1-(4-bromo-2,6-dimethylanilino)propan-2-ol
CID 106931818
1-N-[3-(dimethylamino)propyl]-2,6-difluorobenzene-1,4-diamine
CID 61016451

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-N',N'-dimethylpropane-1,3-diamine (CID 114525062) is N-(4-bromo-2,6-dimethylphenyl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(4-bromo-2,6-dimethylphenyl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(4-bromo-2,6-dimethylphenyl)-N',N'-dimethylpropane-1,3-diamine is Cc1cc(Br)cc(C)c1NCCCN(C)C.
What is the InChIKey of N-(4-bromo-2,6-dimethylphenyl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is CAISOPFEOQXQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2/c1-10-8-12(14)9-11(2)13(10)15-6-5-7-16(3)4/h8-9,15H,5-7H2,1-4H3.
What are the key properties of N-(4-bromo-2,6-dimethylphenyl)-N',N'-dimethylpropane-1,3-diamine?
N-(4-bromo-2,6-dimethylphenyl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 285.23 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dimethylphenyl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 114525062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).