1-(2,6-difluoro-3-methylphenyl)-N-ethyl-3-propoxypropan-1-amine

C15H23F2NO — CID 105175820

IUPAC1-(2,6-difluoro-3-methylphenyl)-N-ethyl-3-propoxypropan-1-amine
SMILESCCCOCCC(NCC)c1c(F)ccc(C)c1F
InChIInChI=1S/C15H23F2NO/c1-4-9-19-10-8-13(18-5-2)14-12(16)7-6-11(3)15(14)17/h6-7,13,18H,4-5,8-10H2,1-3H3
InChIKeyCRYCLCAFUONWQM-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.74
Rot. Bonds8

About 1-(2,6-difluoro-3-methylphenyl)-N-ethyl-3-propoxypropan-1-amine

1-(2,6-difluoro-3-methylphenyl)-N-ethyl-3-propoxypropan-1-amine (PubChem CID 105175820) has the molecular formula C15H23F2NO and a molecular weight of 271.35 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylphenyl)-N-ethyl-3-propoxypropan-1-amine.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylphenyl)-N-ethyl-3-propoxypropan-1-amine
PubChem CID105175820
Molecular FormulaC15H23F2NO
Molecular Weight271.35 g/mol
Exact Mass271.17
IUPAC Name1-(2,6-difluoro-3-methylphenyl)-N-ethyl-3-propoxypropan-1-amine
SMILESCCCOCCC(NCC)c1c(F)ccc(C)c1F
InChIInChI=1S/C15H23F2NO/c1-4-9-19-10-8-13(18-5-2)14-12(16)7-6-11(3)15(14)17/h6-7,13,18H,4-5,8-10H2,1-3H3
InChIKeyCRYCLCAFUONWQM-UHFFFAOYSA-N
XLogP3.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-difluoro-3-methylphenyl)-N-ethylbutan-1-amine
CID 82823122
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-4-methylpentan-1-amine
CID 82822293
1-(2,5-dimethylphenyl)-N-ethyl-3-propoxypropan-1-amine
CID 105120236
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 82823040
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-phenylethanamine
CID 82815037
2-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)-N-ethylethanamine
CID 82823061
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860877
N-ethyl-1-(3-methylthiophen-2-yl)-3-propoxypropan-1-amine
CID 105166453
1-(2,4-dichlorophenyl)-N-ethyl-3-propoxypropan-1-amine
CID 114281159
N-ethyl-1-(4-propan-2-ylphenyl)-3-propoxypropan-1-amine
CID 105144803
1-(2,6-difluoro-3-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 105039592
1-(2,6-difluorophenyl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine
CID 102928630

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-N-ethyl-3-propoxypropan-1-amine?
The IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-N-ethyl-3-propoxypropan-1-amine (CID 105175820) is 1-(2,6-difluoro-3-methylphenyl)-N-ethyl-3-propoxypropan-1-amine.
What is the SMILES notation for 1-(2,6-difluoro-3-methylphenyl)-N-ethyl-3-propoxypropan-1-amine?
The canonical SMILES for 1-(2,6-difluoro-3-methylphenyl)-N-ethyl-3-propoxypropan-1-amine is CCCOCCC(NCC)c1c(F)ccc(C)c1F.
What is the InChIKey of 1-(2,6-difluoro-3-methylphenyl)-N-ethyl-3-propoxypropan-1-amine?
The InChIKey is CRYCLCAFUONWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO/c1-4-9-19-10-8-13(18-5-2)14-12(16)7-6-11(3)15(14)17/h6-7,13,18H,4-5,8-10H2,1-3H3.
What are the key properties of 1-(2,6-difluoro-3-methylphenyl)-N-ethyl-3-propoxypropan-1-amine?
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-3-propoxypropan-1-amine has a molecular weight of 271.35 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3-methylphenyl)-N-ethyl-3-propoxypropan-1-amine is sourced from PubChem (CID 105175820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).