4-(2-fluoro-4-methoxyphenyl)-2-methylbut-3-yn-2-amine

C12H14FNO — CID 63997086

IUPAC4-(2-fluoro-4-methoxyphenyl)-2-methylbut-3-yn-2-amine
SMILESCOc1ccc(C#CC(C)(C)N)c(F)c1
InChIInChI=1S/C12H14FNO/c1-12(2,14)7-6-9-4-5-10(15-3)8-11(9)13/h4-5,8H,14H2,1-3H3
InChIKeyXHPNWLRJJZUFQS-UHFFFAOYSA-N
MW207.25 g/mol
LogP1.92
Rot. Bonds1

About 4-(2-fluoro-4-methoxyphenyl)-2-methylbut-3-yn-2-amine

4-(2-fluoro-4-methoxyphenyl)-2-methylbut-3-yn-2-amine (PubChem CID 63997086) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 4-(2-fluoro-4-methoxyphenyl)-2-methylbut-3-yn-2-amine.

Molecular Properties

Compound Name4-(2-fluoro-4-methoxyphenyl)-2-methylbut-3-yn-2-amine
PubChem CID63997086
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name4-(2-fluoro-4-methoxyphenyl)-2-methylbut-3-yn-2-amine
SMILESCOc1ccc(C#CC(C)(C)N)c(F)c1
InChIInChI=1S/C12H14FNO/c1-12(2,14)7-6-9-4-5-10(15-3)8-11(9)13/h4-5,8H,14H2,1-3H3
InChIKeyXHPNWLRJJZUFQS-UHFFFAOYSA-N
XLogP1.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 51.92
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

4-(2,4-dimethoxyphenyl)-2-methylbut-3-yn-2-amine
CID 63997283
4-(2,4-difluorophenyl)-2-methylbut-3-yn-2-amine
CID 63997891
4-(6-methoxynaphthalen-2-yl)-2-methylbut-3-yn-2-amine
CID 63996890
3-(2-fluoro-4-methoxyphenyl)prop-2-yne-1-thiol
CID 169486401
1-(3,3-dimethylbut-1-ynyl)-2,4-dimethoxybenzene
CID 160733436
4-(2-fluoro-3-methoxyphenyl)-2-methylbut-3-yn-2-amine
CID 82811565
2-fluoro-6-[2-[4-[2-(2-fluoro-4-methoxyphenyl)ethynyl]phenyl]ethynyl]naphthalene
CID 139857229
4-(2-methoxyphenyl)-2-methylbut-3-yn-2-amine
CID 63998901
2-fluoro-4-methoxyaniline
CID 3756383
4-(3,4-difluorophenyl)-2-methylbut-3-yn-2-amine
CID 63997889
2-fluoro-2-(2-fluoro-4-methoxyphenyl)propan-1-amine
CID 69346788
2-amino-2-(2-fluoro-5-methoxyphenyl)propan-1-ol
CID 55271150

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-methoxyphenyl)-2-methylbut-3-yn-2-amine?
The IUPAC name of 4-(2-fluoro-4-methoxyphenyl)-2-methylbut-3-yn-2-amine (CID 63997086) is 4-(2-fluoro-4-methoxyphenyl)-2-methylbut-3-yn-2-amine.
What is the SMILES notation for 4-(2-fluoro-4-methoxyphenyl)-2-methylbut-3-yn-2-amine?
The canonical SMILES for 4-(2-fluoro-4-methoxyphenyl)-2-methylbut-3-yn-2-amine is COc1ccc(C#CC(C)(C)N)c(F)c1.
What is the InChIKey of 4-(2-fluoro-4-methoxyphenyl)-2-methylbut-3-yn-2-amine?
The InChIKey is XHPNWLRJJZUFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c1-12(2,14)7-6-9-4-5-10(15-3)8-11(9)13/h4-5,8H,14H2,1-3H3.
What are the key properties of 4-(2-fluoro-4-methoxyphenyl)-2-methylbut-3-yn-2-amine?
4-(2-fluoro-4-methoxyphenyl)-2-methylbut-3-yn-2-amine has a molecular weight of 207.25 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-methoxyphenyl)-2-methylbut-3-yn-2-amine is sourced from PubChem (CID 63997086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).