2-N-[(2-bromophenyl)methyl]-2-N,3-dimethylbenzene-1,2-diamine

C15H17BrN2 — CID 113333707

IUPAC2-N-[(2-bromophenyl)methyl]-2-N,3-dimethylbenzene-1,2-diamine
SMILESCc1cccc(N)c1N(C)Cc1ccccc1Br
InChIInChI=1S/C15H17BrN2/c1-11-6-5-9-14(17)15(11)18(2)10-12-7-3-4-8-13(12)16/h3-9H,10,17H2,1-2H3
InChIKeyUPUCKLNDFULIPZ-UHFFFAOYSA-N
MW305.22 g/mol
LogP3.98
Rot. Bonds3

About 2-N-[(2-bromophenyl)methyl]-2-N,3-dimethylbenzene-1,2-diamine

2-N-[(2-bromophenyl)methyl]-2-N,3-dimethylbenzene-1,2-diamine (PubChem CID 113333707) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is 2-N-[(2-bromophenyl)methyl]-2-N,3-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[(2-bromophenyl)methyl]-2-N,3-dimethylbenzene-1,2-diamine
PubChem CID113333707
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC Name2-N-[(2-bromophenyl)methyl]-2-N,3-dimethylbenzene-1,2-diamine
SMILESCc1cccc(N)c1N(C)Cc1ccccc1Br
InChIInChI=1S/C15H17BrN2/c1-11-6-5-9-14(17)15(11)18(2)10-12-7-3-4-8-13(12)16/h3-9H,10,17H2,1-2H3
InChIKeyUPUCKLNDFULIPZ-UHFFFAOYSA-N
XLogP3.98
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 53.98
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-bromophenyl)methyl]-1-N,3-dimethylbenzene-1,2-diamine
CID 114041193
2-N-ethyl-2-N,3-dimethylbenzene-1,2-diamine
CID 115550058
N-benzyl-2-bromo-N,6-dimethylaniline
CID 91032005
2-N-[(2-bromophenyl)methyl]-2-N-methyl-1,3-benzoxazole-2,4-diamine
CID 79893264
4-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylaniline
CID 61416417
2-N-[(4-methoxyphenyl)methyl]-2-N,3-dimethylbenzene-1,2-diamine
CID 115550202
4-N-[(2-bromophenyl)methyl]-4-N-methylpyridine-3,4-diamine
CID 61358641
3-N-[(2-bromophenyl)methyl]-3-N,5-dimethylbenzene-1,3-diamine
CID 112647329
4-N-[(2-bromophenyl)methyl]-2-fluoro-4-N-methylbenzene-1,4-diamine
CID 115123939
2-[[(2-bromophenyl)methyl-methylamino]methyl]-3-fluoroaniline
CID 63331058
1-[(2-bromophenyl)methyl]-1-methylhydrazine;hydrochloride
CID 3028721
N-[(2-bromophenyl)methyl]-N-methylhydroxylamine
CID 82613877

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-bromophenyl)methyl]-2-N,3-dimethylbenzene-1,2-diamine?
The IUPAC name of 2-N-[(2-bromophenyl)methyl]-2-N,3-dimethylbenzene-1,2-diamine (CID 113333707) is 2-N-[(2-bromophenyl)methyl]-2-N,3-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-[(2-bromophenyl)methyl]-2-N,3-dimethylbenzene-1,2-diamine?
The canonical SMILES for 2-N-[(2-bromophenyl)methyl]-2-N,3-dimethylbenzene-1,2-diamine is Cc1cccc(N)c1N(C)Cc1ccccc1Br.
What is the InChIKey of 2-N-[(2-bromophenyl)methyl]-2-N,3-dimethylbenzene-1,2-diamine?
The InChIKey is UPUCKLNDFULIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2/c1-11-6-5-9-14(17)15(11)18(2)10-12-7-3-4-8-13(12)16/h3-9H,10,17H2,1-2H3.
What are the key properties of 2-N-[(2-bromophenyl)methyl]-2-N,3-dimethylbenzene-1,2-diamine?
2-N-[(2-bromophenyl)methyl]-2-N,3-dimethylbenzene-1,2-diamine has a molecular weight of 305.22 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-bromophenyl)methyl]-2-N,3-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 113333707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).