1-(2,6-difluorophenoxy)-3-methyl-N-propylpentan-2-amine

C15H23F2NO — CID 81269441

IUPAC1-(2,6-difluorophenoxy)-3-methyl-N-propylpentan-2-amine
SMILESCCCNC(COc1c(F)cccc1F)C(C)CC
InChIInChI=1S/C15H23F2NO/c1-4-9-18-14(11(3)5-2)10-19-15-12(16)7-6-8-13(15)17/h6-8,11,14,18H,4-5,9-10H2,1-3H3
InChIKeyOKFYGKAMTCLKNQ-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.76
Rot. Bonds8

About 1-(2,6-difluorophenoxy)-3-methyl-N-propylpentan-2-amine

1-(2,6-difluorophenoxy)-3-methyl-N-propylpentan-2-amine (PubChem CID 81269441) has the molecular formula C15H23F2NO and a molecular weight of 271.35 g/mol. Its IUPAC name is 1-(2,6-difluorophenoxy)-3-methyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(2,6-difluorophenoxy)-3-methyl-N-propylpentan-2-amine
PubChem CID81269441
Molecular FormulaC15H23F2NO
Molecular Weight271.35 g/mol
Exact Mass271.17
IUPAC Name1-(2,6-difluorophenoxy)-3-methyl-N-propylpentan-2-amine
SMILESCCCNC(COc1c(F)cccc1F)C(C)CC
InChIInChI=1S/C15H23F2NO/c1-4-9-18-14(11(3)5-2)10-19-15-12(16)7-6-8-13(15)17/h6-8,11,14,18H,4-5,9-10H2,1-3H3
InChIKeyOKFYGKAMTCLKNQ-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluorophenoxy)-N-propylbutan-2-amine
CID 81268673
2-(2,3-difluorophenoxy)-N-propylpentan-3-amine
CID 63038153
2-(2-fluorophenyl)-N-propylpentan-3-amine
CID 79308291
N-[1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 24691254
2-methyl-1-phenyl-N-propylpentan-3-amine
CID 63561010
4-(2,6-difluorophenoxy)-2-(propylamino)butanoic acid
CID 81269196
1-(2-chloro-6-fluorophenyl)-2-methyl-N-propylbutan-1-amine
CID 105017578
1-(4-fluorophenyl)sulfanyl-3-methyl-N-propylpentan-2-amine
CID 79446165
1-(2,3-difluorophenyl)-5-methoxy-3-methyl-N-propylpentan-2-amine
CID 105044273
ethyl 3-(2,6-difluorophenoxy)-2-(propan-2-ylamino)propanoate
CID 81267797
2-(2,3-difluorophenyl)-N-propylhexan-3-amine
CID 114059600
1-(2,6-dimethylphenoxy)-N-propylbutan-2-amine
CID 62040818

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenoxy)-3-methyl-N-propylpentan-2-amine?
The IUPAC name of 1-(2,6-difluorophenoxy)-3-methyl-N-propylpentan-2-amine (CID 81269441) is 1-(2,6-difluorophenoxy)-3-methyl-N-propylpentan-2-amine.
What is the SMILES notation for 1-(2,6-difluorophenoxy)-3-methyl-N-propylpentan-2-amine?
The canonical SMILES for 1-(2,6-difluorophenoxy)-3-methyl-N-propylpentan-2-amine is CCCNC(COc1c(F)cccc1F)C(C)CC.
What is the InChIKey of 1-(2,6-difluorophenoxy)-3-methyl-N-propylpentan-2-amine?
The InChIKey is OKFYGKAMTCLKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO/c1-4-9-18-14(11(3)5-2)10-19-15-12(16)7-6-8-13(15)17/h6-8,11,14,18H,4-5,9-10H2,1-3H3.
What are the key properties of 1-(2,6-difluorophenoxy)-3-methyl-N-propylpentan-2-amine?
1-(2,6-difluorophenoxy)-3-methyl-N-propylpentan-2-amine has a molecular weight of 271.35 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenoxy)-3-methyl-N-propylpentan-2-amine is sourced from PubChem (CID 81269441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).