1-(2-chloro-6-fluorophenyl)-N-methylhex-4-yn-2-amine

C13H15ClFN — CID 63022661

IUPAC1-(2-chloro-6-fluorophenyl)-N-methylhex-4-yn-2-amine
SMILESCC#CCC(Cc1c(F)cccc1Cl)NC
InChIInChI=1S/C13H15ClFN/c1-3-4-6-10(16-2)9-11-12(14)7-5-8-13(11)15/h5,7-8,10,16H,6,9H2,1-2H3
InChIKeyXWAOAXHHOXUMPC-UHFFFAOYSA-N
MW239.72 g/mol
LogP3.02
Rot. Bonds4

About 1-(2-chloro-6-fluorophenyl)-N-methylhex-4-yn-2-amine

1-(2-chloro-6-fluorophenyl)-N-methylhex-4-yn-2-amine (PubChem CID 63022661) has the molecular formula C13H15ClFN and a molecular weight of 239.72 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-N-methylhex-4-yn-2-amine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-N-methylhex-4-yn-2-amine
PubChem CID63022661
Molecular FormulaC13H15ClFN
Molecular Weight239.72 g/mol
Exact Mass239.09
IUPAC Name1-(2-chloro-6-fluorophenyl)-N-methylhex-4-yn-2-amine
SMILESCC#CCC(Cc1c(F)cccc1Cl)NC
InChIInChI=1S/C13H15ClFN/c1-3-4-6-10(16-2)9-11-12(14)7-5-8-13(11)15/h5,7-8,10,16H,6,9H2,1-2H3
InChIKeyXWAOAXHHOXUMPC-UHFFFAOYSA-N
XLogP3.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.72
LogP ≤ 53.02
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

1-(2-chloro-6-fluorophenyl)-N-propylhex-4-yn-2-amine
CID 63022141
4-(2-chloro-6-fluorophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 113291231
1-(2-chloro-6-fluorophenyl)-5-methoxy-N,4-dimethylpentan-2-amine
CID 105106068
3-(2-chloro-6-fluorophenyl)-N,2-dimethylpropan-1-amine
CID 62531287
1-(2-chloro-6-fluorophenyl)-3-(furan-2-yl)-N-methylpropan-2-amine
CID 83176029
2-(2-chloro-6-fluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine
CID 61079857
1-(2-chloro-6-fluorophenyl)-N,3-dimethylbutan-2-amine
CID 61079503
1-(2-chloro-3-fluorophenyl)-3-(2,6-dichlorophenyl)-N-methylpropan-2-amine
CID 115983713
1-(2-chloro-6-fluorophenyl)-5-methoxy-N,5-dimethylhexan-2-amine
CID 103031231
1-(2-chloro-4,5-difluorophenyl)-2-(2-chloro-6-fluorophenyl)-N-methylethanamine
CID 107476331
1-(2-chloro-6-fluorophenyl)-3-(3-chlorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66147469
1-(2-chloro-3-fluorophenyl)-N-methylpent-3-yn-1-amine
CID 115819172

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-methylhex-4-yn-2-amine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-methylhex-4-yn-2-amine (CID 63022661) is 1-(2-chloro-6-fluorophenyl)-N-methylhex-4-yn-2-amine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-N-methylhex-4-yn-2-amine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-N-methylhex-4-yn-2-amine is CC#CCC(Cc1c(F)cccc1Cl)NC.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-N-methylhex-4-yn-2-amine?
The InChIKey is XWAOAXHHOXUMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN/c1-3-4-6-10(16-2)9-11-12(14)7-5-8-13(11)15/h5,7-8,10,16H,6,9H2,1-2H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-N-methylhex-4-yn-2-amine?
1-(2-chloro-6-fluorophenyl)-N-methylhex-4-yn-2-amine has a molecular weight of 239.72 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-N-methylhex-4-yn-2-amine is sourced from PubChem (CID 63022661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).