1-(2-fluoro-4-methoxyphenyl)prop-2-yn-1-amine

C10H10FNO — CID 81304813

IUPAC1-(2-fluoro-4-methoxyphenyl)prop-2-yn-1-amine
SMILESC#CC(N)c1ccc(OC)cc1F
InChIInChI=1S/C10H10FNO/c1-3-10(12)8-5-4-7(13-2)6-9(8)11/h1,4-6,10H,12H2,2H3
InChIKeyVXGQLCTYJPYHBD-UHFFFAOYSA-N
MW179.19 g/mol
LogP1.47
Rot. Bonds2

About 1-(2-fluoro-4-methoxyphenyl)prop-2-yn-1-amine

1-(2-fluoro-4-methoxyphenyl)prop-2-yn-1-amine (PubChem CID 81304813) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is 1-(2-fluoro-4-methoxyphenyl)prop-2-yn-1-amine.

Molecular Properties

Compound Name1-(2-fluoro-4-methoxyphenyl)prop-2-yn-1-amine
PubChem CID81304813
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name1-(2-fluoro-4-methoxyphenyl)prop-2-yn-1-amine
SMILESC#CC(N)c1ccc(OC)cc1F
InChIInChI=1S/C10H10FNO/c1-3-10(12)8-5-4-7(13-2)6-9(8)11/h1,4-6,10H,12H2,2H3
InChIKeyVXGQLCTYJPYHBD-UHFFFAOYSA-N
XLogP1.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 51.47
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

2-amino-2-(2-fluoro-4-methoxyphenyl)acetonitrile
CID 126971863
(1R)-2,2-difluoro-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 130665860
(1R)-1-(4-chloro-2-fluorophenyl)prop-2-yn-1-amine
CID 97000239
(1S)-1-(2-fluoro-4-methoxyphenyl)propane-1,3-diamine
CID 171219591
2,2,2-trifluoro-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 43561288
2-amino-2-(2-fluoro-4-methoxyphenyl)ethanol
CID 55272766
(4S)-4-amino-4-(2-fluoro-4-methoxyphenyl)butan-1-ol
CID 171219632
(2-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethanamine
CID 103395513
bis(2-fluoro-4-methoxyphenyl)methanol
CID 102884350
(2-fluoro-4-methoxyphenyl)-phenylmethanamine
CID 43561220
4-(2-fluoro-4-methoxyphenyl)pentan-2-amine
CID 83909628
(1S)-1-(2-fluoro-4-methoxyphenyl)-2-methylbutan-1-amine
CID 171219623

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methoxyphenyl)prop-2-yn-1-amine?
The IUPAC name of 1-(2-fluoro-4-methoxyphenyl)prop-2-yn-1-amine (CID 81304813) is 1-(2-fluoro-4-methoxyphenyl)prop-2-yn-1-amine.
What is the SMILES notation for 1-(2-fluoro-4-methoxyphenyl)prop-2-yn-1-amine?
The canonical SMILES for 1-(2-fluoro-4-methoxyphenyl)prop-2-yn-1-amine is C#CC(N)c1ccc(OC)cc1F.
What is the InChIKey of 1-(2-fluoro-4-methoxyphenyl)prop-2-yn-1-amine?
The InChIKey is VXGQLCTYJPYHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c1-3-10(12)8-5-4-7(13-2)6-9(8)11/h1,4-6,10H,12H2,2H3.
What are the key properties of 1-(2-fluoro-4-methoxyphenyl)prop-2-yn-1-amine?
1-(2-fluoro-4-methoxyphenyl)prop-2-yn-1-amine has a molecular weight of 179.19 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methoxyphenyl)prop-2-yn-1-amine is sourced from PubChem (CID 81304813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).