1-ethyl-3-[(2-fluorophenoxy)methyl]indol-5-amine

C17H17FN2O — CID 117175552

IUPAC1-ethyl-3-[(2-fluorophenoxy)methyl]indol-5-amine
SMILESCCn1cc(COc2ccccc2F)c2cc(N)ccc21
InChIInChI=1S/C17H17FN2O/c1-2-20-10-12(14-9-13(19)7-8-16(14)20)11-21-17-6-4-3-5-15(17)18/h3-10H,2,11,19H2,1H3
InChIKeyBGFLGLBDMONRFM-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.96
Rot. Bonds4

About 1-ethyl-3-[(2-fluorophenoxy)methyl]indol-5-amine

1-ethyl-3-[(2-fluorophenoxy)methyl]indol-5-amine (PubChem CID 117175552) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 1-ethyl-3-[(2-fluorophenoxy)methyl]indol-5-amine.

Molecular Properties

Compound Name1-ethyl-3-[(2-fluorophenoxy)methyl]indol-5-amine
PubChem CID117175552
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name1-ethyl-3-[(2-fluorophenoxy)methyl]indol-5-amine
SMILESCCn1cc(COc2ccccc2F)c2cc(N)ccc21
InChIInChI=1S/C17H17FN2O/c1-2-20-10-12(14-9-13(19)7-8-16(14)20)11-21-17-6-4-3-5-15(17)18/h3-10H,2,11,19H2,1H3
InChIKeyBGFLGLBDMONRFM-UHFFFAOYSA-N
XLogP3.96
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.96
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

Idalopirdine
CID 21071390
5-(Benzyloxy)tryptamine
CID 89576
5-MeO-DALT
CID 50878551
5-Methoxy-N,N-dipropyl-1H-indole-3-ethanamine
CID 14011047
5-Benzyloxyindole
CID 14624
Benanserin Hydrochloride
CID 10670
4-(phenylmethoxy)-1H-indole
CID 88465
N,N-Dimethyl-5-(phenylmethoxy)-1H-indole-3-methanamine
CID 73814
N-Acetyl-5-benzyloxytryptamine
CID 563605
4-Fluoro-5-methoxy-3-(2-pyrrolidin-1-yl-ethyl)-1H-indole
CID 10015574
5-(Nonyloxy)tryptamine
CID 1797
5-Benzyloxy-3-(2-hydroxyethyl)indole
CID 744849

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(2-fluorophenoxy)methyl]indol-5-amine?
The IUPAC name of 1-ethyl-3-[(2-fluorophenoxy)methyl]indol-5-amine (CID 117175552) is 1-ethyl-3-[(2-fluorophenoxy)methyl]indol-5-amine.
What is the SMILES notation for 1-ethyl-3-[(2-fluorophenoxy)methyl]indol-5-amine?
The canonical SMILES for 1-ethyl-3-[(2-fluorophenoxy)methyl]indol-5-amine is CCn1cc(COc2ccccc2F)c2cc(N)ccc21.
What is the InChIKey of 1-ethyl-3-[(2-fluorophenoxy)methyl]indol-5-amine?
The InChIKey is BGFLGLBDMONRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-2-20-10-12(14-9-13(19)7-8-16(14)20)11-21-17-6-4-3-5-15(17)18/h3-10H,2,11,19H2,1H3.
What are the key properties of 1-ethyl-3-[(2-fluorophenoxy)methyl]indol-5-amine?
1-ethyl-3-[(2-fluorophenoxy)methyl]indol-5-amine has a molecular weight of 284.33 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(2-fluorophenoxy)methyl]indol-5-amine is sourced from PubChem (CID 117175552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).