3-[3-(2-cyclopropylethoxy)-4-fluorophenyl]prop-2-yn-1-amine

C14H16FNO — CID 114675659

IUPAC3-[3-(2-cyclopropylethoxy)-4-fluorophenyl]prop-2-yn-1-amine
SMILESNCC#Cc1ccc(F)c(OCCC2CC2)c1
InChIInChI=1S/C14H16FNO/c15-13-6-5-12(2-1-8-16)10-14(13)17-9-7-11-3-4-11/h5-6,10-11H,3-4,7-9,16H2
InChIKeyBDWIRGYAMOVOOP-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.31
Rot. Bonds4

About 3-[3-(2-cyclopropylethoxy)-4-fluorophenyl]prop-2-yn-1-amine

3-[3-(2-cyclopropylethoxy)-4-fluorophenyl]prop-2-yn-1-amine (PubChem CID 114675659) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is 3-[3-(2-cyclopropylethoxy)-4-fluorophenyl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-[3-(2-cyclopropylethoxy)-4-fluorophenyl]prop-2-yn-1-amine
PubChem CID114675659
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name3-[3-(2-cyclopropylethoxy)-4-fluorophenyl]prop-2-yn-1-amine
SMILESNCC#Cc1ccc(F)c(OCCC2CC2)c1
InChIInChI=1S/C14H16FNO/c15-13-6-5-12(2-1-8-16)10-14(13)17-9-7-11-3-4-11/h5-6,10-11H,3-4,7-9,16H2
InChIKeyBDWIRGYAMOVOOP-UHFFFAOYSA-N
XLogP2.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(cyclohexylmethoxy)-4-fluorophenyl]prop-2-yn-1-amine
CID 114675760
3-[4-fluoro-3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]prop-2-yn-1-amine
CID 114675731
3-[4-[2-(2-cyclopropylethoxy)ethoxy]phenyl]prop-2-yn-1-amine
CID 106203786
1-[3-(2-cyclopropylethoxy)-4-fluorophenyl]cyclopropan-1-amine
CID 155370327
3-[4-fluoro-3-[2-(oxolan-2-yl)ethoxy]phenyl]prop-2-yn-1-ol
CID 114675226
potassium [3-(2-cyclopropylethoxy)-4-fluorophenyl]-trifluoroboranuide
CID 114675089
3-[3-[(2-chlorophenyl)methoxy]-4-fluorophenyl]prop-2-yn-1-amine
CID 114675739
3-[4-fluoro-3-(3,3,3-trifluoropropoxy)phenyl]prop-2-yn-1-ol
CID 114675198
3-(3-fluoro-4-methoxyphenyl)prop-2-yn-1-amine
CID 60799775
3-(4-fluoro-3-pentoxyphenyl)prop-2-yn-1-ol
CID 114675177
4-[2-(2-fluoro-5-methylphenoxy)ethyl]piperidine
CID 64854447
3-[4-fluoro-3-(3-pyrrolidin-1-ylpropoxy)phenyl]prop-2-yn-1-ol
CID 114675221

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-cyclopropylethoxy)-4-fluorophenyl]prop-2-yn-1-amine?
The IUPAC name of 3-[3-(2-cyclopropylethoxy)-4-fluorophenyl]prop-2-yn-1-amine (CID 114675659) is 3-[3-(2-cyclopropylethoxy)-4-fluorophenyl]prop-2-yn-1-amine.
What is the SMILES notation for 3-[3-(2-cyclopropylethoxy)-4-fluorophenyl]prop-2-yn-1-amine?
The canonical SMILES for 3-[3-(2-cyclopropylethoxy)-4-fluorophenyl]prop-2-yn-1-amine is NCC#Cc1ccc(F)c(OCCC2CC2)c1.
What is the InChIKey of 3-[3-(2-cyclopropylethoxy)-4-fluorophenyl]prop-2-yn-1-amine?
The InChIKey is BDWIRGYAMOVOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c15-13-6-5-12(2-1-8-16)10-14(13)17-9-7-11-3-4-11/h5-6,10-11H,3-4,7-9,16H2.
What are the key properties of 3-[3-(2-cyclopropylethoxy)-4-fluorophenyl]prop-2-yn-1-amine?
3-[3-(2-cyclopropylethoxy)-4-fluorophenyl]prop-2-yn-1-amine has a molecular weight of 233.29 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-cyclopropylethoxy)-4-fluorophenyl]prop-2-yn-1-amine is sourced from PubChem (CID 114675659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).