1,6-dimethyl-2,3-dihydro-1H-benzo[e]indole

C14H15N — CID 163282273

IUPAC1,6-dimethyl-2,3-dihydro-1H-benzo[e]indole
SMILESCc1cccc2c3c(ccc12)NCC3C
InChIInChI=1S/C14H15N/c1-9-4-3-5-12-11(9)6-7-13-14(12)10(2)8-15-13/h3-7,10,15H,8H2,1-2H3
InChIKeyTZOXCJXTGROHGK-UHFFFAOYSA-N
MW197.28 g/mol
LogP3.68
Rot. Bonds

About 1,6-dimethyl-2,3-dihydro-1H-benzo[e]indole

1,6-dimethyl-2,3-dihydro-1H-benzo[e]indole (PubChem CID 163282273) has the molecular formula C14H15N and a molecular weight of 197.28 g/mol. Its IUPAC name is 1,6-dimethyl-2,3-dihydro-1H-benzo[e]indole.

Molecular Properties

Compound Name1,6-dimethyl-2,3-dihydro-1H-benzo[e]indole
PubChem CID163282273
Molecular FormulaC14H15N
Molecular Weight197.28 g/mol
Exact Mass197.12
IUPAC Name1,6-dimethyl-2,3-dihydro-1H-benzo[e]indole
SMILESCc1cccc2c3c(ccc12)NCC3C
InChIInChI=1S/C14H15N/c1-9-4-3-5-12-11(9)6-7-13-14(12)10(2)8-15-13/h3-7,10,15H,8H2,1-2H3
InChIKeyTZOXCJXTGROHGK-UHFFFAOYSA-N
XLogP3.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,N,1-trimethyl-2,3-dihydro-1H-benzo[e]indol-6-amine
CID 163282267
2-(3-methyl-2,3-dihydro-1H-indol-4-yl)propan-2-ol
CID 117203039
1,5-dimethylnaphthalene
CID 162159355
2,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 79001888
(4R)-4,7-dimethyl-1,2,3,4-tetrahydrochrysene;pyrazine
CID 174401157
3-(2,6-dimethylphenyl)-1,2,3,4-tetrahydrofuro[3,4-b]pyrazine
CID 82377049
2,8-dimethyl-3,4-dihydro-2H-1,4-benzothiazine
CID 114827412
ethane;1,2,5-trimethylnaphthalene
CID 142394206
(1R)-1,6-dimethyl-1,2-dihydronaphtho[1,2-g][1]benzofuran-10,11-diol
CID 71737846
N,N,5-trimethyl-1,2,3,4-tetrahydroquinolin-3-amine
CID 105444538
4,6-dimethyldibenzothiophene
CID 161055331
1-methyl-7-(trifluoromethyl)chrysene
CID 58362219

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-2,3-dihydro-1H-benzo[e]indole?
The IUPAC name of 1,6-dimethyl-2,3-dihydro-1H-benzo[e]indole (CID 163282273) is 1,6-dimethyl-2,3-dihydro-1H-benzo[e]indole.
What is the SMILES notation for 1,6-dimethyl-2,3-dihydro-1H-benzo[e]indole?
The canonical SMILES for 1,6-dimethyl-2,3-dihydro-1H-benzo[e]indole is Cc1cccc2c3c(ccc12)NCC3C.
What is the InChIKey of 1,6-dimethyl-2,3-dihydro-1H-benzo[e]indole?
The InChIKey is TZOXCJXTGROHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N/c1-9-4-3-5-12-11(9)6-7-13-14(12)10(2)8-15-13/h3-7,10,15H,8H2,1-2H3.
What are the key properties of 1,6-dimethyl-2,3-dihydro-1H-benzo[e]indole?
1,6-dimethyl-2,3-dihydro-1H-benzo[e]indole has a molecular weight of 197.28 g/mol, XLogP of 3.68, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-2,3-dihydro-1H-benzo[e]indole is sourced from PubChem (CID 163282273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).