1-(2,3-difluorophenyl)-N-methylhept-5-yn-2-amine

C14H17F2N — CID 105037105

IUPAC1-(2,3-difluorophenyl)-N-methylhept-5-yn-2-amine
SMILESCC#CCCC(Cc1cccc(F)c1F)NC
InChIInChI=1S/C14H17F2N/c1-3-4-5-8-12(17-2)10-11-7-6-9-13(15)14(11)16/h6-7,9,12,17H,5,8,10H2,1-2H3
InChIKeyDDGFRXNVTOYTLI-UHFFFAOYSA-N
MW237.29 g/mol
LogP2.90
Rot. Bonds5

About 1-(2,3-difluorophenyl)-N-methylhept-5-yn-2-amine

1-(2,3-difluorophenyl)-N-methylhept-5-yn-2-amine (PubChem CID 105037105) has the molecular formula C14H17F2N and a molecular weight of 237.29 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-N-methylhept-5-yn-2-amine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-N-methylhept-5-yn-2-amine
PubChem CID105037105
Molecular FormulaC14H17F2N
Molecular Weight237.29 g/mol
Exact Mass237.13
IUPAC Name1-(2,3-difluorophenyl)-N-methylhept-5-yn-2-amine
SMILESCC#CCCC(Cc1cccc(F)c1F)NC
InChIInChI=1S/C14H17F2N/c1-3-4-5-8-12(17-2)10-11-7-6-9-13(15)14(11)16/h6-7,9,12,17H,5,8,10H2,1-2H3
InChIKeyDDGFRXNVTOYTLI-UHFFFAOYSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-(2,3-difluorophenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 113291249
1-(2,3-difluorophenyl)-5-methoxy-N-methylhexan-2-amine
CID 105137730
1-(2,4-dichlorophenyl)-N-methylhept-5-yn-2-amine
CID 104804732
1-(2,3-difluorophenyl)-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148436
1-(2,3-difluorophenyl)-3-(2,5-difluorophenyl)-N-methylpropan-2-amine
CID 115809477
1-(2,3-difluorophenyl)-N,4-dimethylpent-4-en-2-amine
CID 105003817
1-(2,3-difluorophenyl)hept-6-yn-2-ylhydrazine
CID 105333380
4-(2,3-difluorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
CID 105259354
1-(2,3-difluorophenyl)-N-methyl-5-(oxolan-2-yl)pentan-2-amine
CID 104993032
1-(2-chloro-3-fluorophenyl)-3-(3-chloro-2-fluorophenyl)-N-methylpropan-2-amine
CID 115983977
4-(2,3-difluorophenyl)-N,N-diethyl-3-hydrazinylbutan-1-amine
CID 105244189
1-(2,3-difluorophenyl)-3-(2,5-dimethylpyrazol-3-yl)-N-methylpropan-2-amine
CID 104996017

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-N-methylhept-5-yn-2-amine?
The IUPAC name of 1-(2,3-difluorophenyl)-N-methylhept-5-yn-2-amine (CID 105037105) is 1-(2,3-difluorophenyl)-N-methylhept-5-yn-2-amine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-N-methylhept-5-yn-2-amine?
The canonical SMILES for 1-(2,3-difluorophenyl)-N-methylhept-5-yn-2-amine is CC#CCCC(Cc1cccc(F)c1F)NC.
What is the InChIKey of 1-(2,3-difluorophenyl)-N-methylhept-5-yn-2-amine?
The InChIKey is DDGFRXNVTOYTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N/c1-3-4-5-8-12(17-2)10-11-7-6-9-13(15)14(11)16/h6-7,9,12,17H,5,8,10H2,1-2H3.
What are the key properties of 1-(2,3-difluorophenyl)-N-methylhept-5-yn-2-amine?
1-(2,3-difluorophenyl)-N-methylhept-5-yn-2-amine has a molecular weight of 237.29 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-N-methylhept-5-yn-2-amine is sourced from PubChem (CID 105037105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).