1-(2,6-difluorophenyl)-N-methylhept-6-yn-2-amine

C14H17F2N — CID 105033816

IUPAC1-(2,6-difluorophenyl)-N-methylhept-6-yn-2-amine
SMILESC#CCCCC(Cc1c(F)cccc1F)NC
InChIInChI=1S/C14H17F2N/c1-3-4-5-7-11(17-2)10-12-13(15)8-6-9-14(12)16/h1,6,8-9,11,17H,4-5,7,10H2,2H3
InChIKeySQKBUMCIKLOPBQ-UHFFFAOYSA-N
MW237.29 g/mol
LogP2.90
Rot. Bonds6

About 1-(2,6-difluorophenyl)-N-methylhept-6-yn-2-amine

1-(2,6-difluorophenyl)-N-methylhept-6-yn-2-amine (PubChem CID 105033816) has the molecular formula C14H17F2N and a molecular weight of 237.29 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-methylhept-6-yn-2-amine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-methylhept-6-yn-2-amine
PubChem CID105033816
Molecular FormulaC14H17F2N
Molecular Weight237.29 g/mol
Exact Mass237.13
IUPAC Name1-(2,6-difluorophenyl)-N-methylhept-6-yn-2-amine
SMILESC#CCCCC(Cc1c(F)cccc1F)NC
InChIInChI=1S/C14H17F2N/c1-3-4-5-7-11(17-2)10-12-13(15)8-6-9-14(12)16/h1,6,8-9,11,17H,4-5,7,10H2,2H3
InChIKeySQKBUMCIKLOPBQ-UHFFFAOYSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-difluorophenyl)hept-6-yn-2-ylhydrazine
CID 105333318
1-(2-fluorophenyl)sulfanyl-N-methylhept-6-yn-2-amine
CID 113374333
1-(2,6-difluorophenyl)-N-methyloctan-2-amine
CID 114753002
1-(2,6-difluorophenyl)-6,6,6-trifluoro-N-methylhexan-2-amine
CID 105024000
1-(2,3-difluorophenyl)hept-6-yn-2-ylhydrazine
CID 105333380
1-(2,6-difluorophenyl)-N-methyl-4-pyridin-2-ylbutan-2-amine
CID 105190641
4-(2-chloro-6-fluorophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 113291231
1-(2-chloro-6-fluorophenyl)-N-methylhex-4-yn-2-amine
CID 63022661
N-methyl-1-pyridin-2-yloct-7-yn-3-amine
CID 105179646
1-(2,4-difluorophenyl)-3-(2,6-difluorophenyl)-N-methylpropan-2-amine
CID 114932067
1-cycloheptyl-3-(2,6-difluorophenyl)-N-methylpropan-2-amine
CID 114458171
1-(2-chloro-6-fluorophenyl)-5-methoxy-N,5-dimethylhexan-2-amine
CID 103031231

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-methylhept-6-yn-2-amine?
The IUPAC name of 1-(2,6-difluorophenyl)-N-methylhept-6-yn-2-amine (CID 105033816) is 1-(2,6-difluorophenyl)-N-methylhept-6-yn-2-amine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-methylhept-6-yn-2-amine?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-methylhept-6-yn-2-amine is C#CCCCC(Cc1c(F)cccc1F)NC.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-methylhept-6-yn-2-amine?
The InChIKey is SQKBUMCIKLOPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N/c1-3-4-5-7-11(17-2)10-12-13(15)8-6-9-14(12)16/h1,6,8-9,11,17H,4-5,7,10H2,2H3.
What are the key properties of 1-(2,6-difluorophenyl)-N-methylhept-6-yn-2-amine?
1-(2,6-difluorophenyl)-N-methylhept-6-yn-2-amine has a molecular weight of 237.29 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N-methylhept-6-yn-2-amine is sourced from PubChem (CID 105033816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).