3-methyl-1,2-di(propan-2-yl)benzo[e]indole

C19H23N — CID 169016375

IUPAC3-methyl-1,2-di(propan-2-yl)benzo[e]indole
SMILESCC(C)c1c(C(C)C)n(C)c2ccc3ccccc3c12
InChIInChI=1S/C19H23N/c1-12(2)17-18-15-9-7-6-8-14(15)10-11-16(18)20(5)19(17)13(3)4/h6-13H,1-5H3
InChIKeyKLCMLOOXYAVATQ-UHFFFAOYSA-N
MW265.40 g/mol
LogP5.58
Rot. Bonds2

About 3-methyl-1,2-di(propan-2-yl)benzo[e]indole

3-methyl-1,2-di(propan-2-yl)benzo[e]indole (PubChem CID 169016375) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-methyl-1,2-di(propan-2-yl)benzo[e]indole.

Molecular Properties

Compound Name3-methyl-1,2-di(propan-2-yl)benzo[e]indole
PubChem CID169016375
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC Name3-methyl-1,2-di(propan-2-yl)benzo[e]indole
SMILESCC(C)c1c(C(C)C)n(C)c2ccc3ccccc3c12
InChIInChI=1S/C19H23N/c1-12(2)17-18-15-9-7-6-8-14(15)10-11-16(18)20(5)19(17)13(3)4/h6-13H,1-5H3
InChIKeyKLCMLOOXYAVATQ-UHFFFAOYSA-N
XLogP5.58
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.40
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethene;12-methyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 145210762
25-methyl-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
CID 130325653
azane;1,2-di(propan-2-yl)naphthalene
CID 172719874
1,2-di(propan-2-yl)naphthalene;hydrogen peroxide
CID 19002409
(1-methyl-3-propan-2-ylindol-2-yl)methanamine
CID 83916240
12-propan-2-ylbenzo[a]anthracen-7-amine
CID 155685833
heptacyclo[22.6.6.02,7.010,15.018,23.025,30.031,36]hexatriaconta-1(31),2,4,6,8,10,12,14,16,18,20,22,24(36),25,27,29,32,34-octadecaene
CID 59760658
1,3-dimethyl-2-(2-methylphenyl)benzo[e]indole
CID 144605644
ethane;2-methyl-1-propan-2-ylnaphthalene
CID 144871891
1,2-di(propan-2-yl)naphthalene;1H-pyrrole
CID 175415753
1,3-dimethyl-2-(2-methylphenyl)benzo[e]indole;ethane
CID 144605643
12-benzyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;ethane
CID 161201502

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,2-di(propan-2-yl)benzo[e]indole?
The IUPAC name of 3-methyl-1,2-di(propan-2-yl)benzo[e]indole (CID 169016375) is 3-methyl-1,2-di(propan-2-yl)benzo[e]indole.
What is the SMILES notation for 3-methyl-1,2-di(propan-2-yl)benzo[e]indole?
The canonical SMILES for 3-methyl-1,2-di(propan-2-yl)benzo[e]indole is CC(C)c1c(C(C)C)n(C)c2ccc3ccccc3c12.
What is the InChIKey of 3-methyl-1,2-di(propan-2-yl)benzo[e]indole?
The InChIKey is KLCMLOOXYAVATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N/c1-12(2)17-18-15-9-7-6-8-14(15)10-11-16(18)20(5)19(17)13(3)4/h6-13H,1-5H3.
What are the key properties of 3-methyl-1,2-di(propan-2-yl)benzo[e]indole?
3-methyl-1,2-di(propan-2-yl)benzo[e]indole has a molecular weight of 265.40 g/mol, XLogP of 5.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,2-di(propan-2-yl)benzo[e]indole is sourced from PubChem (CID 169016375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).