1-N-[2-(2-bromophenyl)ethyl]-1-N,4-dimethylbenzene-1,2-diamine

C16H19BrN2 — CID 115125164

IUPAC1-N-[2-(2-bromophenyl)ethyl]-1-N,4-dimethylbenzene-1,2-diamine
SMILESCc1ccc(N(C)CCc2ccccc2Br)c(N)c1
InChIInChI=1S/C16H19BrN2/c1-12-7-8-16(15(18)11-12)19(2)10-9-13-5-3-4-6-14(13)17/h3-8,11H,9-10,18H2,1-2H3
InChIKeyIXEFLOKPSLCVEM-UHFFFAOYSA-N
MW319.25 g/mol
LogP4.02
Rot. Bonds4

About 1-N-[2-(2-bromophenyl)ethyl]-1-N,4-dimethylbenzene-1,2-diamine

1-N-[2-(2-bromophenyl)ethyl]-1-N,4-dimethylbenzene-1,2-diamine (PubChem CID 115125164) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is 1-N-[2-(2-bromophenyl)ethyl]-1-N,4-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-[2-(2-bromophenyl)ethyl]-1-N,4-dimethylbenzene-1,2-diamine
PubChem CID115125164
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC Name1-N-[2-(2-bromophenyl)ethyl]-1-N,4-dimethylbenzene-1,2-diamine
SMILESCc1ccc(N(C)CCc2ccccc2Br)c(N)c1
InChIInChI=1S/C16H19BrN2/c1-12-7-8-16(15(18)11-12)19(2)10-9-13-5-3-4-6-14(13)17/h3-8,11H,9-10,18H2,1-2H3
InChIKeyIXEFLOKPSLCVEM-UHFFFAOYSA-N
XLogP4.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-[2-(5-bromo-2-methylphenyl)ethyl]-1-N,4-dimethylbenzene-1,2-diamine
CID 115125153
2-N-[2-(2,5-dimethylphenyl)ethyl]-2-N-methylbenzene-1,2-diamine
CID 115124611
2-N-[2-(2-bromophenyl)ethyl]-2-N,4-dimethylpyridine-2,5-diamine
CID 115147511
2-N-[2-(2-bromophenyl)ethyl]-2-N,6-dimethylpyridine-2,5-diamine
CID 115147784
1-N,4-dimethyl-1-N-(2-methylsulfanylethyl)benzene-1,2-diamine
CID 112656745
1-N,4-dimethyl-1-N-[2-(1H-pyrrol-3-yl)ethyl]benzene-1,2-diamine
CID 115125150
2-N-methyl-2-N-[2-(2,4,5-trimethylphenyl)ethyl]benzene-1,2-diamine
CID 115124630
N-[2-(2-bromophenyl)ethyl]-N-methylpropan-2-amine
CID 117044248
3-[(2-bromophenyl)methyl]-2,5-dimethylaniline
CID 154647746
2-N-[2-(2-bromophenyl)ethyl]-2-N-methylpropane-1,2-diamine
CID 117040195
1-(2-bromophenyl)-N'-(2,4-dimethylphenyl)-N'-methylpropane-1,3-diamine
CID 63493719
2-N,4-dimethyl-2-N-[2-(4-methylphenyl)ethyl]benzene-1,2-diamine
CID 115126434

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(2-bromophenyl)ethyl]-1-N,4-dimethylbenzene-1,2-diamine?
The IUPAC name of 1-N-[2-(2-bromophenyl)ethyl]-1-N,4-dimethylbenzene-1,2-diamine (CID 115125164) is 1-N-[2-(2-bromophenyl)ethyl]-1-N,4-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-[2-(2-bromophenyl)ethyl]-1-N,4-dimethylbenzene-1,2-diamine?
The canonical SMILES for 1-N-[2-(2-bromophenyl)ethyl]-1-N,4-dimethylbenzene-1,2-diamine is Cc1ccc(N(C)CCc2ccccc2Br)c(N)c1.
What is the InChIKey of 1-N-[2-(2-bromophenyl)ethyl]-1-N,4-dimethylbenzene-1,2-diamine?
The InChIKey is IXEFLOKPSLCVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2/c1-12-7-8-16(15(18)11-12)19(2)10-9-13-5-3-4-6-14(13)17/h3-8,11H,9-10,18H2,1-2H3.
What are the key properties of 1-N-[2-(2-bromophenyl)ethyl]-1-N,4-dimethylbenzene-1,2-diamine?
1-N-[2-(2-bromophenyl)ethyl]-1-N,4-dimethylbenzene-1,2-diamine has a molecular weight of 319.25 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(2-bromophenyl)ethyl]-1-N,4-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 115125164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).