1-(5-fluoro-2-methylphenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine

C18H23FN2 — CID 63466244

IUPAC1-(5-fluoro-2-methylphenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
SMILESCc1ccc(F)cc1-n1c(C)cc2c1CC(C)(C)CC2N
InChIInChI=1S/C18H23FN2/c1-11-5-6-13(19)8-16(11)21-12(2)7-14-15(20)9-18(3,4)10-17(14)21/h5-8,15H,9-10,20H2,1-4H3
InChIKeyWKMRURPJJURZLV-UHFFFAOYSA-N
MW286.39 g/mol
LogP4.21
Rot. Bonds1

About 1-(5-fluoro-2-methylphenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine

1-(5-fluoro-2-methylphenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine (PubChem CID 63466244) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
PubChem CID63466244
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC Name1-(5-fluoro-2-methylphenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
SMILESCc1ccc(F)cc1-n1c(C)cc2c1CC(C)(C)CC2N
InChIInChI=1S/C18H23FN2/c1-11-5-6-13(19)8-16(11)21-12(2)7-14-15(20)9-18(3,4)10-17(14)21/h5-8,15H,9-10,20H2,1-4H3
InChIKeyWKMRURPJJURZLV-UHFFFAOYSA-N
XLogP4.21
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluoro-2-methylphenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
CID 63466075
1-(2,4-dichlorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
CID 63466785
1-(2,3-dichlorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
CID 63465933
1-(2,5-dimethylphenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
CID 63464982
1-(3-bromophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
CID 63465369
1-[2-(5-bromothiophen-2-yl)ethyl]-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
CID 106039338
2,6,6-trimethyl-1-piperidin-1-yl-5,7-dihydro-4H-indol-4-amine
CID 83023419
1-(2,6-dimethylpiperidin-1-yl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
CID 83016943
2,6,6-trimethyl-1-[(E)-pent-3-enyl]-5,7-dihydro-4H-indol-4-amine
CID 113466125
1-(2-cyclopentylethyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine
CID 63466449
2,6,6-trimethyl-1-(2-prop-2-ynylsulfanylethyl)-5,7-dihydro-4H-indol-4-amine
CID 106432346
2,6,6-trimethyl-1-[2-(oxan-2-yl)ethyl]-5,7-dihydro-4H-indol-4-amine
CID 106003163

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine (CID 63466244) is 1-(5-fluoro-2-methylphenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine is Cc1ccc(F)cc1-n1c(C)cc2c1CC(C)(C)CC2N.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine?
The InChIKey is WKMRURPJJURZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-11-5-6-13(19)8-16(11)21-12(2)7-14-15(20)9-18(3,4)10-17(14)21/h5-8,15H,9-10,20H2,1-4H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine?
1-(5-fluoro-2-methylphenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine has a molecular weight of 286.39 g/mol, XLogP of 4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-amine is sourced from PubChem (CID 63466244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).