1-(2-ethynyl-4-fluorophenyl)-N-methylmethanamine

C10H10FN — CID 130535155

IUPAC1-(2-ethynyl-4-fluorophenyl)-N-methylmethanamine
SMILESC#Cc1cc(F)ccc1CNC
InChIInChI=1S/C10H10FN/c1-3-8-6-10(11)5-4-9(8)7-12-2/h1,4-6,12H,7H2,2H3
InChIKeySEFWZEACRPXOQE-UHFFFAOYSA-N
MW163.19 g/mol
LogP1.53
Rot. Bonds2

About 1-(2-ethynyl-4-fluorophenyl)-N-methylmethanamine

1-(2-ethynyl-4-fluorophenyl)-N-methylmethanamine (PubChem CID 130535155) has the molecular formula C10H10FN and a molecular weight of 163.19 g/mol. Its IUPAC name is 1-(2-ethynyl-4-fluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-ethynyl-4-fluorophenyl)-N-methylmethanamine
PubChem CID130535155
Molecular FormulaC10H10FN
Molecular Weight163.19 g/mol
Exact Mass163.08
IUPAC Name1-(2-ethynyl-4-fluorophenyl)-N-methylmethanamine
SMILESC#Cc1cc(F)ccc1CNC
InChIInChI=1S/C10H10FN/c1-3-8-6-10(11)5-4-9(8)7-12-2/h1,4-6,12H,7H2,2H3
InChIKeySEFWZEACRPXOQE-UHFFFAOYSA-N
XLogP1.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.19
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-(methylaminomethyl)phenol
CID 82595579
1-(2-ethyl-5-fluorophenyl)-N-methylmethanamine
CID 84765258
1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 63049128
1-(2-bromo-5-fluorophenyl)-N-methylmethanamine;hydrochloride
CID 86811714
4-[2-(aminomethyl)-5-fluorophenyl]-N-methylbut-3-yn-1-amine
CID 170464291
1-ethynyl-4-fluoro-2-(methoxymethyl)benzene
CID 143664546
(2-cyano-4-fluorophenyl)methylcarbamic acid
CID 67439404
1-ethynyl-2-(2-ethynyl-5-fluorophenyl)-4-fluorobenzene
CID 132517082
1-[4-fluoro-2-(methylaminomethyl)phenyl]ethanone
CID 144854306
1-[2-(5-bromo-2-fluorophenyl)-4-fluorophenyl]-N-methylmethanamine
CID 114060273
1-[2-[azepan-1-yl(dimethylidene)-λ6-sulfanyl]-4-fluorophenyl]-N-methylmethanamine
CID 143465929
methyl 2-ethynyl-4-fluorobenzoate
CID 130038458

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethynyl-4-fluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-ethynyl-4-fluorophenyl)-N-methylmethanamine (CID 130535155) is 1-(2-ethynyl-4-fluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-ethynyl-4-fluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-ethynyl-4-fluorophenyl)-N-methylmethanamine is C#Cc1cc(F)ccc1CNC.
What is the InChIKey of 1-(2-ethynyl-4-fluorophenyl)-N-methylmethanamine?
The InChIKey is SEFWZEACRPXOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN/c1-3-8-6-10(11)5-4-9(8)7-12-2/h1,4-6,12H,7H2,2H3.
What are the key properties of 1-(2-ethynyl-4-fluorophenyl)-N-methylmethanamine?
1-(2-ethynyl-4-fluorophenyl)-N-methylmethanamine has a molecular weight of 163.19 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethynyl-4-fluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 130535155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).