2-bromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine

C14H17BrN2 — CID 86198794

IUPAC2-bromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine
SMILESCN(C)c1cccc2ccc(Br)c(N(C)C)c12
InChIInChI=1S/C14H17BrN2/c1-16(2)12-7-5-6-10-8-9-11(15)14(13(10)12)17(3)4/h5-9H,1-4H3
InChIKeyJCUXOZZFPKFCOZ-UHFFFAOYSA-N
MW293.21 g/mol
LogP3.73
Rot. Bonds2

About 2-bromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine

2-bromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine (PubChem CID 86198794) has the molecular formula C14H17BrN2 and a molecular weight of 293.21 g/mol. Its IUPAC name is 2-bromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine.

Molecular Properties

Compound Name2-bromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine
PubChem CID86198794
Molecular FormulaC14H17BrN2
Molecular Weight293.21 g/mol
Exact Mass292.06
IUPAC Name2-bromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine
SMILESCN(C)c1cccc2ccc(Br)c(N(C)C)c12
InChIInChI=1S/C14H17BrN2/c1-16(2)12-7-5-6-10-8-9-11(15)14(13(10)12)17(3)4/h5-9H,1-4H3
InChIKeyJCUXOZZFPKFCOZ-UHFFFAOYSA-N
XLogP3.73
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-bromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Proton sponge
CID 88675
1-Bromo-4-(Dimethylamino)Naphthalene
CID 4083804
9-Bromo-5-ethyl-5,6,11,12-tetrahydro-dibenzo[b,f]azocine
CID 44409299
1,5-Naphthalenediamine, N,N,N',N'-tetramethyl-
CID 139088
6-bromo-N,N-dimethylnaphthalen-2-amine
CID 15508907
6-bromo-N-methylnaphthalen-2-amine
CID 300058
1,8-Bis(dimethylamino)naph-thalene hydrochloride
CID 67933913
2-Bromo-4-(1H-inden-1-ylidenemethyl)-N,N-dimethylaniline
CID 5857570
1,8-Naphthalenediamine, 4-bromo-N,N,N',N'-tetramethyl-
CID 2327152
6-bromo-1,3-dimethyl-2H-perimidine
CID 2331023
N~1~,N~1~,N~8~,N~8~-Tetramethylnaphthalene-1,8-diamine--hydrogen bromide (1/1)
CID 71388884
2-(benzenecarboximidoyl)-7-bromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine
CID 122223638

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine?
The IUPAC name of 2-bromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine (CID 86198794) is 2-bromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine.
What is the SMILES notation for 2-bromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine?
The canonical SMILES for 2-bromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine is CN(C)c1cccc2ccc(Br)c(N(C)C)c12.
What is the InChIKey of 2-bromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine?
The InChIKey is JCUXOZZFPKFCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2/c1-16(2)12-7-5-6-10-8-9-11(15)14(13(10)12)17(3)4/h5-9H,1-4H3.
What are the key properties of 2-bromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine?
2-bromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine has a molecular weight of 293.21 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-N,1-N,8-N,8-N-tetramethylnaphthalene-1,8-diamine is sourced from PubChem (CID 86198794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).