1-[(4-ethylphenyl)methyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine

C19H26N2 — CID 106900702

IUPAC1-[(4-ethylphenyl)methyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine
SMILESCCc1ccc(Cn2ccc3c2CC(C)(C)CC3N)cc1
InChIInChI=1S/C19H26N2/c1-4-14-5-7-15(8-6-14)13-21-10-9-16-17(20)11-19(2,3)12-18(16)21/h5-10,17H,4,11-13,20H2,1-3H3
InChIKeyGRFDTDVOXIEJJI-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.07
Rot. Bonds3

About 1-[(4-ethylphenyl)methyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine

1-[(4-ethylphenyl)methyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine (PubChem CID 106900702) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-[(4-ethylphenyl)methyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine.

Molecular Properties

Compound Name1-[(4-ethylphenyl)methyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine
PubChem CID106900702
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name1-[(4-ethylphenyl)methyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine
SMILESCCc1ccc(Cn2ccc3c2CC(C)(C)CC3N)cc1
InChIInChI=1S/C19H26N2/c1-4-14-5-7-15(8-6-14)13-21-10-9-16-17(20)11-19(2,3)12-18(16)21/h5-10,17H,4,11-13,20H2,1-3H3
InChIKeyGRFDTDVOXIEJJI-UHFFFAOYSA-N
XLogP4.07
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylphenyl)methyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine?
The IUPAC name of 1-[(4-ethylphenyl)methyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine (CID 106900702) is 1-[(4-ethylphenyl)methyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine.
What is the SMILES notation for 1-[(4-ethylphenyl)methyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine?
The canonical SMILES for 1-[(4-ethylphenyl)methyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine is CCc1ccc(Cn2ccc3c2CC(C)(C)CC3N)cc1.
What is the InChIKey of 1-[(4-ethylphenyl)methyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine?
The InChIKey is GRFDTDVOXIEJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-4-14-5-7-15(8-6-14)13-21-10-9-16-17(20)11-19(2,3)12-18(16)21/h5-10,17H,4,11-13,20H2,1-3H3.
What are the key properties of 1-[(4-ethylphenyl)methyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine?
1-[(4-ethylphenyl)methyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine has a molecular weight of 282.43 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylphenyl)methyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-amine is sourced from PubChem (CID 106900702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).