4-ethyl-1-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindole

C18H23NO — CID 130249356

IUPAC4-ethyl-1-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindole
SMILESCCC1CCCc2c1ccn2Cc1ccc(OC)cc1
InChIInChI=1S/C18H23NO/c1-3-15-5-4-6-18-17(15)11-12-19(18)13-14-7-9-16(20-2)10-8-14/h7-12,15H,3-6,13H2,1-2H3
InChIKeyQLZRHFSUVVHDTC-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.37
Rot. Bonds4

About 4-ethyl-1-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindole

4-ethyl-1-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindole (PubChem CID 130249356) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-ethyl-1-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindole.

Molecular Properties

Compound Name4-ethyl-1-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindole
PubChem CID130249356
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name4-ethyl-1-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindole
SMILESCCC1CCCc2c1ccn2Cc1ccc(OC)cc1
InChIInChI=1S/C18H23NO/c1-3-15-5-4-6-18-17(15)11-12-19(18)13-14-7-9-16(20-2)10-8-14/h7-12,15H,3-6,13H2,1-2H3
InChIKeyQLZRHFSUVVHDTC-UHFFFAOYSA-N
XLogP4.37
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]pyrrole
CID 134951685
1-[(2,4-dimethoxyphenyl)methyl]-4,5,6,7-tetrahydroindol-4-amine
CID 63362626
2-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
CID 83212970
3-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 82592413
(3R)-3-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 129394219
4-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 23381464
2-[(4-methoxyphenyl)methyl]cyclopentan-1-one
CID 11790327
1,4,7-tris[(4-methoxyphenyl)methyl]-1,4,7-triazecane
CID 66887441
N-[(2-ethylcyclopentylidene)amino]-2-(4-methoxyphenyl)acetamide
CID 4506010
[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanamine
CID 42253835
3-ethyl-2-[(4-methoxyphenyl)methylidene]cyclohexan-1-one
CID 68642942
1-[1-(4-methoxyphenyl)ethyl]-4,5,6,7-tetrahydroindol-4-amine
CID 66241809

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindole?
The IUPAC name of 4-ethyl-1-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindole (CID 130249356) is 4-ethyl-1-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindole.
What is the SMILES notation for 4-ethyl-1-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindole?
The canonical SMILES for 4-ethyl-1-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindole is CCC1CCCc2c1ccn2Cc1ccc(OC)cc1.
What is the InChIKey of 4-ethyl-1-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindole?
The InChIKey is QLZRHFSUVVHDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-3-15-5-4-6-18-17(15)11-12-19(18)13-14-7-9-16(20-2)10-8-14/h7-12,15H,3-6,13H2,1-2H3.
What are the key properties of 4-ethyl-1-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindole?
4-ethyl-1-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindole has a molecular weight of 269.39 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindole is sourced from PubChem (CID 130249356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).