3-[(3-fluorophenoxy)methyl]-1-propan-2-ylindol-6-amine

C18H19FN2O — CID 117178985

IUPAC3-[(3-fluorophenoxy)methyl]-1-propan-2-ylindol-6-amine
SMILESCC(C)n1cc(COc2cccc(F)c2)c2ccc(N)cc21
InChIInChI=1S/C18H19FN2O/c1-12(2)21-10-13(17-7-6-15(20)9-18(17)21)11-22-16-5-3-4-14(19)8-16/h3-10,12H,11,20H2,1-2H3
InChIKeyXDUUDGKZKNFDOA-UHFFFAOYSA-N
MW298.36 g/mol
LogP4.52
Rot. Bonds4

About 3-[(3-fluorophenoxy)methyl]-1-propan-2-ylindol-6-amine

3-[(3-fluorophenoxy)methyl]-1-propan-2-ylindol-6-amine (PubChem CID 117178985) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is 3-[(3-fluorophenoxy)methyl]-1-propan-2-ylindol-6-amine.

Molecular Properties

Compound Name3-[(3-fluorophenoxy)methyl]-1-propan-2-ylindol-6-amine
PubChem CID117178985
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name3-[(3-fluorophenoxy)methyl]-1-propan-2-ylindol-6-amine
SMILESCC(C)n1cc(COc2cccc(F)c2)c2ccc(N)cc21
InChIInChI=1S/C18H19FN2O/c1-12(2)21-10-13(17-7-6-15(20)9-18(17)21)11-22-16-5-3-4-14(19)8-16/h3-10,12H,11,20H2,1-2H3
InChIKeyXDUUDGKZKNFDOA-UHFFFAOYSA-N
XLogP4.52
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[(6-amino-1-propan-2-ylindol-3-yl)methoxy]phenol
CID 117179000
6-fluoro-3-[(3-methoxyphenoxy)methyl]-1-propan-2-ylindole
CID 117179005
3-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-6-amine
CID 117178937
4-[(6-fluoro-1-propan-2-ylindol-3-yl)methoxy]phenol
CID 117179041
2-[(6-fluoro-1-propan-2-ylindol-3-yl)methoxy]phenol
CID 117178967
5-amino-2-[(3-fluorophenoxy)methyl]phenol
CID 117219630
3-chloro-5-[(3-fluorophenoxy)methyl]-1-propan-2-ylindole
CID 141410898
1-ethyl-3-[(3-fluorophenoxy)methyl]-6-methylindole
CID 117185749
3-[(3-fluorophenoxy)methyl]-1-methylindol-4-amine
CID 117171340
6-fluoro-1-methyl-3-(phenoxymethyl)indole
CID 117178420
1-propan-2-yl-3-(propan-2-ylsulfonylmethyl)indol-6-amine
CID 117178915
O-[(6-bromo-1-propan-2-ylindol-3-yl)methyl]hydroxylamine
CID 117196322

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenoxy)methyl]-1-propan-2-ylindol-6-amine?
The IUPAC name of 3-[(3-fluorophenoxy)methyl]-1-propan-2-ylindol-6-amine (CID 117178985) is 3-[(3-fluorophenoxy)methyl]-1-propan-2-ylindol-6-amine.
What is the SMILES notation for 3-[(3-fluorophenoxy)methyl]-1-propan-2-ylindol-6-amine?
The canonical SMILES for 3-[(3-fluorophenoxy)methyl]-1-propan-2-ylindol-6-amine is CC(C)n1cc(COc2cccc(F)c2)c2ccc(N)cc21.
What is the InChIKey of 3-[(3-fluorophenoxy)methyl]-1-propan-2-ylindol-6-amine?
The InChIKey is XDUUDGKZKNFDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O/c1-12(2)21-10-13(17-7-6-15(20)9-18(17)21)11-22-16-5-3-4-14(19)8-16/h3-10,12H,11,20H2,1-2H3.
What are the key properties of 3-[(3-fluorophenoxy)methyl]-1-propan-2-ylindol-6-amine?
3-[(3-fluorophenoxy)methyl]-1-propan-2-ylindol-6-amine has a molecular weight of 298.36 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenoxy)methyl]-1-propan-2-ylindol-6-amine is sourced from PubChem (CID 117178985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).