1-(2,6-dimethylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine

C18H24N2 — CID 63465018

IUPAC1-(2,6-dimethylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine
SMILESCc1cccc(C)c1-n1ccc2c1CC(C)(C)CC2N
InChIInChI=1S/C18H24N2/c1-12-6-5-7-13(2)17(12)20-9-8-14-15(19)10-18(3,4)11-16(14)20/h5-9,15H,10-11,19H2,1-4H3
InChIKeyIKRVWUPELLHURC-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.07
Rot. Bonds1

About 1-(2,6-dimethylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine

1-(2,6-dimethylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine (PubChem CID 63465018) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine
PubChem CID63465018
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name1-(2,6-dimethylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine
SMILESCc1cccc(C)c1-n1ccc2c1CC(C)(C)CC2N
InChIInChI=1S/C18H24N2/c1-12-6-5-7-13(2)17(12)20-9-8-14-15(19)10-18(3,4)11-16(14)20/h5-9,15H,10-11,19H2,1-4H3
InChIKeyIKRVWUPELLHURC-UHFFFAOYSA-N
XLogP4.07
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-Dimethyltryptamine
CID 6089
Gramine
CID 6890
Alpha-Ethyltryptamine
CID 8367
(-)-Agroclavine
CID 73484
N,N-Diethyltryptamine
CID 6090
6,8-Dimethyl-8,9-didehydroergoline
CID 287403
1-Methyl-1H-indole-3-ethylamine
CID 23492
alpha-Methyl-1H-indole-5-ethanamine
CID 55253543
N,N-Dipropyltryptamine
CID 6091
N,N-Dimethylhomotryptamine
CID 52549
Alx-0646
CID 9860595
5-(3-butylpyrrolidin-3-yl)-1H-indole
CID 25224941

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine?
The IUPAC name of 1-(2,6-dimethylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine (CID 63465018) is 1-(2,6-dimethylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine?
The canonical SMILES for 1-(2,6-dimethylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine is Cc1cccc(C)c1-n1ccc2c1CC(C)(C)CC2N.
What is the InChIKey of 1-(2,6-dimethylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine?
The InChIKey is IKRVWUPELLHURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-12-6-5-7-13(2)17(12)20-9-8-14-15(19)10-18(3,4)11-16(14)20/h5-9,15H,10-11,19H2,1-4H3.
What are the key properties of 1-(2,6-dimethylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine?
1-(2,6-dimethylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine has a molecular weight of 268.40 g/mol, XLogP of 4.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine is sourced from PubChem (CID 63465018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).