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

C15H17BrN2 — CID 43726538

IUPAC1-N-[(2-bromophenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1ccccc1NCc1ccccc1Br
InChIInChI=1S/C15H17BrN2/c1-18(2)15-10-6-5-9-14(15)17-11-12-7-3-4-8-13(12)16/h3-10,17H,11H2,1-2H3
InChIKeyWYZREGKQUVTGJT-UHFFFAOYSA-N
MW305.22 g/mol
LogP4.13
Rot. Bonds4

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

1-N-[(2-bromophenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine (PubChem CID 43726538) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is 1-N-[(2-bromophenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-[(2-bromophenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
PubChem CID43726538
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC Name1-N-[(2-bromophenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1ccccc1NCc1ccccc1Br
InChIInChI=1S/C15H17BrN2/c1-18(2)15-10-6-5-9-14(15)17-11-12-7-3-4-8-13(12)16/h3-10,17H,11H2,1-2H3
InChIKeyWYZREGKQUVTGJT-UHFFFAOYSA-N
XLogP4.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(dimethylamino)anilino]methyl]phenol
CID 43726496
1-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726653
1-N-[(3-bromothiophen-2-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 115380037
1-N-[(5-bromothiophen-2-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726526
2-N,2-N-dimethyl-1-N-(quinolin-8-ylmethyl)benzene-1,2-diamine
CID 43726392
1-N-[(6-bromo-2-pyridinyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 112582054
N-[(2-bromophenyl)methyl]-2-(1-chloroethyl)aniline
CID 65030272
2-[[2-(dimethylamino)anilino]methyl]-6-ethoxyphenol
CID 43726584
4-bromo-2-N-[(2-fluorophenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43231794
N-[(2-bromophenyl)methyl]-4-methylthiophen-3-amine
CID 115751803
2-[(2-bromophenyl)methylamino]benzoic acid
CID 43139537
2-[(2-bromoanilino)methyl]phenol;hydrochloride
CID 126460187

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2-bromophenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 1-N-[(2-bromophenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine (CID 43726538) is 1-N-[(2-bromophenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-[(2-bromophenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 1-N-[(2-bromophenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine is CN(C)c1ccccc1NCc1ccccc1Br.
What is the InChIKey of 1-N-[(2-bromophenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine?
The InChIKey is WYZREGKQUVTGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2/c1-18(2)15-10-6-5-9-14(15)17-11-12-7-3-4-8-13(12)16/h3-10,17H,11H2,1-2H3.
What are the key properties of 1-N-[(2-bromophenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine?
1-N-[(2-bromophenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine has a molecular weight of 305.22 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2-bromophenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 43726538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).