8-bromo-6,10-dimethyl-2,3,4,4a,5,10a-hexahydro-1H-phenazine

C14H19BrN2 — CID 84644248

IUPAC8-bromo-6,10-dimethyl-2,3,4,4a,5,10a-hexahydro-1H-phenazine
SMILESCc1cc(Br)cc2c1NC1CCCCC1N2C
InChIInChI=1S/C14H19BrN2/c1-9-7-10(15)8-13-14(9)16-11-5-3-4-6-12(11)17(13)2/h7-8,11-12,16H,3-6H2,1-2H3
InChIKeyCZJNELXPFJFQDU-UHFFFAOYSA-N
MW295.22 g/mol
LogP3.93
Rot. Bonds

About 8-bromo-6,10-dimethyl-2,3,4,4a,5,10a-hexahydro-1H-phenazine

8-bromo-6,10-dimethyl-2,3,4,4a,5,10a-hexahydro-1H-phenazine (PubChem CID 84644248) has the molecular formula C14H19BrN2 and a molecular weight of 295.22 g/mol. Its IUPAC name is 8-bromo-6,10-dimethyl-2,3,4,4a,5,10a-hexahydro-1H-phenazine.

Molecular Properties

Compound Name8-bromo-6,10-dimethyl-2,3,4,4a,5,10a-hexahydro-1H-phenazine
PubChem CID84644248
Molecular FormulaC14H19BrN2
Molecular Weight295.22 g/mol
Exact Mass294.07
IUPAC Name8-bromo-6,10-dimethyl-2,3,4,4a,5,10a-hexahydro-1H-phenazine
SMILESCc1cc(Br)cc2c1NC1CCCCC1N2C
InChIInChI=1S/C14H19BrN2/c1-9-7-10(15)8-13-14(9)16-11-5-3-4-6-12(11)17(13)2/h7-8,11-12,16H,3-6H2,1-2H3
InChIKeyCZJNELXPFJFQDU-UHFFFAOYSA-N
XLogP3.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-4,8-dimethylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane]
CID 84644245
9,10-dimethyl-2,3,4,4a,5,10a-hexahydro-1H-phenazine
CID 84622503
8-bromo-1,3,3,6-tetramethyl-4,5-dihydro-1,5-benzodiazepin-2-one
CID 84644419
(2R)-6-bromo-2,8-dimethyl-1,2,3,4-tetrahydroquinoline
CID 125183689
7,9-difluoro-10-methyl-2,3,4,4a,5,10a-hexahydro-1H-phenazine
CID 84629106
2-(4-bromo-2-methylphenyl)-5-cyclopentyl-1H-pyrazol-3-one
CID 104508615
4-bromo-2-methyl-6-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]phenol
CID 115904024
1-(4-bromo-2-methylphenyl)-3-cyclohexylpyrazole-4-carbaldehyde
CID 104508751
(S)-(5-bromo-2-fluoro-3-methylphenyl)-cyclopentylmethanamine;hydrochloride
CID 171224555
4-(4-fluoro-2-methylphenyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
CID 102571307
4-bromo-N-(cyclopropylmethyl)-2,6-dimethylaniline
CID 43560330
1-(4-bromo-2-methylphenyl)piperidine
CID 66800775

Frequently Asked Questions

What is the IUPAC name of 8-bromo-6,10-dimethyl-2,3,4,4a,5,10a-hexahydro-1H-phenazine?
The IUPAC name of 8-bromo-6,10-dimethyl-2,3,4,4a,5,10a-hexahydro-1H-phenazine (CID 84644248) is 8-bromo-6,10-dimethyl-2,3,4,4a,5,10a-hexahydro-1H-phenazine.
What is the SMILES notation for 8-bromo-6,10-dimethyl-2,3,4,4a,5,10a-hexahydro-1H-phenazine?
The canonical SMILES for 8-bromo-6,10-dimethyl-2,3,4,4a,5,10a-hexahydro-1H-phenazine is Cc1cc(Br)cc2c1NC1CCCCC1N2C.
What is the InChIKey of 8-bromo-6,10-dimethyl-2,3,4,4a,5,10a-hexahydro-1H-phenazine?
The InChIKey is CZJNELXPFJFQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2/c1-9-7-10(15)8-13-14(9)16-11-5-3-4-6-12(11)17(13)2/h7-8,11-12,16H,3-6H2,1-2H3.
What are the key properties of 8-bromo-6,10-dimethyl-2,3,4,4a,5,10a-hexahydro-1H-phenazine?
8-bromo-6,10-dimethyl-2,3,4,4a,5,10a-hexahydro-1H-phenazine has a molecular weight of 295.22 g/mol, XLogP of 3.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6,10-dimethyl-2,3,4,4a,5,10a-hexahydro-1H-phenazine is sourced from PubChem (CID 84644248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).