1-(3-fluoro-4-methoxyphenyl)prop-2-yn-1-amine

C10H10FNO — CID 104995849

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

About 1-(3-fluoro-4-methoxyphenyl)prop-2-yn-1-amine

1-(3-fluoro-4-methoxyphenyl)prop-2-yn-1-amine (PubChem CID 104995849) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)prop-2-yn-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)prop-2-yn-1-amine
PubChem CID104995849
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name1-(3-fluoro-4-methoxyphenyl)prop-2-yn-1-amine
SMILESC#CC(N)c1ccc(OC)c(F)c1
InChIInChI=1S/C10H10FNO/c1-3-9(12)7-4-5-10(13-2)8(11)6-7/h1,4-6,9H,12H2,2H3
InChIKeySACXCEUZGIUMPZ-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

(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
1-(3-fluoro-4-methoxyphenyl)-N-methylprop-2-yn-1-amine
CID 104995350
(1R)-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 97052813
1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 43474173
(1R)-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171246839
(3-fluoro-4-methoxyphenyl)-hydrazinylmethanamine
CID 116947406
1-(3-fluoro-4-methoxyphenyl)-N'-methylmethanediamine
CID 116939273
(1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 171220989
4-amino-4-(3-fluoro-4-methoxyphenyl)butan-1-ol
CID 116861391
3-ethyl-1-(3-fluoro-4-methoxyphenyl)pentan-1-amine
CID 105028399
4-(dichloromethyl)-2-fluoro-1-methoxybenzene
CID 150361147

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)prop-2-yn-1-amine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)prop-2-yn-1-amine (CID 104995849) is 1-(3-fluoro-4-methoxyphenyl)prop-2-yn-1-amine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)prop-2-yn-1-amine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)prop-2-yn-1-amine is C#CC(N)c1ccc(OC)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)prop-2-yn-1-amine?
The InChIKey is SACXCEUZGIUMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c1-3-9(12)7-4-5-10(13-2)8(11)6-7/h1,4-6,9H,12H2,2H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)prop-2-yn-1-amine?
1-(3-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-(3-fluoro-4-methoxyphenyl)prop-2-yn-1-amine is sourced from PubChem (CID 104995849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).