3-(5-fluoroindol-1-yl)-N-(2-methoxyethyl)propan-1-amine

C14H19FN2O — CID 63850949

IUPAC3-(5-fluoroindol-1-yl)-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCCCn1ccc2cc(F)ccc21
InChIInChI=1S/C14H19FN2O/c1-18-10-7-16-6-2-8-17-9-5-12-11-13(15)3-4-14(12)17/h3-5,9,11,16H,2,6-8,10H2,1H3
InChIKeyCPBFKIZPSQTTFY-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.41
Rot. Bonds7

About 3-(5-fluoroindol-1-yl)-N-(2-methoxyethyl)propan-1-amine

3-(5-fluoroindol-1-yl)-N-(2-methoxyethyl)propan-1-amine (PubChem CID 63850949) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 3-(5-fluoroindol-1-yl)-N-(2-methoxyethyl)propan-1-amine.

Molecular Properties

Compound Name3-(5-fluoroindol-1-yl)-N-(2-methoxyethyl)propan-1-amine
PubChem CID63850949
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name3-(5-fluoroindol-1-yl)-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCCCn1ccc2cc(F)ccc21
InChIInChI=1S/C14H19FN2O/c1-18-10-7-16-6-2-8-17-9-5-12-11-13(15)3-4-14(12)17/h3-5,9,11,16H,2,6-8,10H2,1H3
InChIKeyCPBFKIZPSQTTFY-UHFFFAOYSA-N
XLogP2.41
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(5-fluoroindol-1-yl)-N-propylbutan-1-amine
CID 63852511
4-(5-chloroindol-1-yl)-N-(2-methoxyethyl)butan-1-amine
CID 63879552
2-methoxy-N-[[1-(4-methoxybutyl)indol-5-yl]methyl]ethanamine
CID 104649955
2-(5-fluoroindol-1-yl)-N-(3-methoxypropyl)acetamide
CID 63850800
5-fluoro-1-(2-propan-2-yloxyethyl)indole
CID 55258510
3-(6-fluoroindol-1-yl)-N-methylpropan-1-amine
CID 62564082
1-(2-methoxyethyl)-5-methylindole
CID 116622979
[1-(4-methoxybutyl)indol-5-yl]methanol
CID 102912647
4-(2-bromo-4-fluorophenyl)-N-(2-methoxyethyl)butan-1-amine
CID 64503065
5-methoxy-1-[3-(2-methoxyethoxy)propyl]indole
CID 103413319
5-(5-fluoroindol-1-yl)-2,2-dimethylpentanoic acid
CID 65255255
1-(2-methoxyethyl)indol-5-ol
CID 138679498

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoroindol-1-yl)-N-(2-methoxyethyl)propan-1-amine?
The IUPAC name of 3-(5-fluoroindol-1-yl)-N-(2-methoxyethyl)propan-1-amine (CID 63850949) is 3-(5-fluoroindol-1-yl)-N-(2-methoxyethyl)propan-1-amine.
What is the SMILES notation for 3-(5-fluoroindol-1-yl)-N-(2-methoxyethyl)propan-1-amine?
The canonical SMILES for 3-(5-fluoroindol-1-yl)-N-(2-methoxyethyl)propan-1-amine is COCCNCCCn1ccc2cc(F)ccc21.
What is the InChIKey of 3-(5-fluoroindol-1-yl)-N-(2-methoxyethyl)propan-1-amine?
The InChIKey is CPBFKIZPSQTTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-18-10-7-16-6-2-8-17-9-5-12-11-13(15)3-4-14(12)17/h3-5,9,11,16H,2,6-8,10H2,1H3.
What are the key properties of 3-(5-fluoroindol-1-yl)-N-(2-methoxyethyl)propan-1-amine?
3-(5-fluoroindol-1-yl)-N-(2-methoxyethyl)propan-1-amine has a molecular weight of 250.32 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoroindol-1-yl)-N-(2-methoxyethyl)propan-1-amine is sourced from PubChem (CID 63850949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).