1-ethyl-7-fluoro-2-(propan-2-yloxymethyl)indole

C14H18FNO — CID 117184270

IUPAC1-ethyl-7-fluoro-2-(propan-2-yloxymethyl)indole
SMILESCCn1c(COC(C)C)cc2cccc(F)c21
InChIInChI=1S/C14H18FNO/c1-4-16-12(9-17-10(2)3)8-11-6-5-7-13(15)14(11)16/h5-8,10H,4,9H2,1-3H3
InChIKeyITTXBIBPNOMBLQ-UHFFFAOYSA-N
MW235.30 g/mol
LogP3.73
Rot. Bonds4

About 1-ethyl-7-fluoro-2-(propan-2-yloxymethyl)indole

1-ethyl-7-fluoro-2-(propan-2-yloxymethyl)indole (PubChem CID 117184270) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 1-ethyl-7-fluoro-2-(propan-2-yloxymethyl)indole.

Molecular Properties

Compound Name1-ethyl-7-fluoro-2-(propan-2-yloxymethyl)indole
PubChem CID117184270
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name1-ethyl-7-fluoro-2-(propan-2-yloxymethyl)indole
SMILESCCn1c(COC(C)C)cc2cccc(F)c21
InChIInChI=1S/C14H18FNO/c1-4-16-12(9-17-10(2)3)8-11-6-5-7-13(15)14(11)16/h5-8,10H,4,9H2,1-3H3
InChIKeyITTXBIBPNOMBLQ-UHFFFAOYSA-N
XLogP3.73
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-2-(propan-2-yloxymethyl)indol-7-ol
CID 117184262
1-ethyl-4-fluoro-2-(propan-2-yloxymethyl)indole
CID 117173999
3-(1-ethyl-7-fluoroindol-2-yl)-2-methylpropanoic acid
CID 117196993
7-chloro-1-ethyl-2-[(2-fluorophenoxy)methyl]indole
CID 117184143
7-fluoro-2-[(3-methoxyphenoxy)methyl]-1-methylindole
CID 117183688
1-ethyl-2-[(3-methoxyphenoxy)methyl]-7-methylindole
CID 117186591
1-ethyl-2-(propan-2-yloxymethyl)indole-6-carboxylic acid
CID 117180916
2-(ethoxymethyl)-1-ethylindole
CID 117173973
7-fluoro-2-[(4-fluorophenoxy)methyl]-1-methylindole
CID 117183717
2-(ethylsulfanylmethyl)-7-fluoro-1-propan-2-ylindole
CID 117184308
7-fluoro-1-methyl-2-(propan-2-ylsulfonylmethyl)indole
CID 117183581
2-(ethoxymethyl)-1-ethyl-4-fluoroindole
CID 117173996

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-fluoro-2-(propan-2-yloxymethyl)indole?
The IUPAC name of 1-ethyl-7-fluoro-2-(propan-2-yloxymethyl)indole (CID 117184270) is 1-ethyl-7-fluoro-2-(propan-2-yloxymethyl)indole.
What is the SMILES notation for 1-ethyl-7-fluoro-2-(propan-2-yloxymethyl)indole?
The canonical SMILES for 1-ethyl-7-fluoro-2-(propan-2-yloxymethyl)indole is CCn1c(COC(C)C)cc2cccc(F)c21.
What is the InChIKey of 1-ethyl-7-fluoro-2-(propan-2-yloxymethyl)indole?
The InChIKey is ITTXBIBPNOMBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-4-16-12(9-17-10(2)3)8-11-6-5-7-13(15)14(11)16/h5-8,10H,4,9H2,1-3H3.
What are the key properties of 1-ethyl-7-fluoro-2-(propan-2-yloxymethyl)indole?
1-ethyl-7-fluoro-2-(propan-2-yloxymethyl)indole has a molecular weight of 235.30 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-fluoro-2-(propan-2-yloxymethyl)indole is sourced from PubChem (CID 117184270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).