1-(2,4-difluorophenyl)-2-ethoxy-N-propylbutan-1-amine

C15H23F2NO — CID 116717237

IUPAC1-(2,4-difluorophenyl)-2-ethoxy-N-propylbutan-1-amine
SMILESCCCNC(c1ccc(F)cc1F)C(CC)OCC
InChIInChI=1S/C15H23F2NO/c1-4-9-18-15(14(5-2)19-6-3)12-8-7-11(16)10-13(12)17/h7-8,10,14-15,18H,4-6,9H2,1-3H3
InChIKeyUKEVDXBNVUPGHC-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.82
Rot. Bonds8

About 1-(2,4-difluorophenyl)-2-ethoxy-N-propylbutan-1-amine

1-(2,4-difluorophenyl)-2-ethoxy-N-propylbutan-1-amine (PubChem CID 116717237) has the molecular formula C15H23F2NO and a molecular weight of 271.35 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-ethoxy-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-ethoxy-N-propylbutan-1-amine
PubChem CID116717237
Molecular FormulaC15H23F2NO
Molecular Weight271.35 g/mol
Exact Mass271.17
IUPAC Name1-(2,4-difluorophenyl)-2-ethoxy-N-propylbutan-1-amine
SMILESCCCNC(c1ccc(F)cc1F)C(CC)OCC
InChIInChI=1S/C15H23F2NO/c1-4-9-18-15(14(5-2)19-6-3)12-8-7-11(16)10-13(12)17/h7-8,10,14-15,18H,4-6,9H2,1-3H3
InChIKeyUKEVDXBNVUPGHC-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-2-ethoxy-N-propylpentan-1-amine
CID 116718342
N-[bis(2,4-difluorophenyl)methyl]propan-1-amine
CID 43496293
2-ethoxy-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine
CID 116717243
2-ethoxy-1-(2-propan-2-yloxyphenyl)-N-propylbutan-1-amine
CID 116717283
2-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylbutan-1-amine
CID 116716584
1-(3,4-difluorophenyl)-2-ethoxy-N-propylpentan-1-amine
CID 116718368
1-(3-bromo-2,6-difluorophenyl)-2-ethoxy-N-propylbutan-1-amine
CID 106943029
3-ethoxy-1-(4-fluoro-2-methylphenyl)-N-propylpentan-2-amine
CID 114348350
1-(2,3-dichlorophenyl)-2-ethoxy-N-propylbutan-1-amine
CID 116717297
1-(4-chloro-2-fluorophenyl)-2-ethoxy-3,3-dimethyl-N-propylbutan-1-amine
CID 116725980
1-(2,4-difluorophenyl)-N-propylethane-1,2-diamine
CID 62064444
1-(4-chloro-2-fluorophenyl)-2-ethoxy-N-ethylpentan-1-amine
CID 116717986

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-ethoxy-N-propylbutan-1-amine?
The IUPAC name of 1-(2,4-difluorophenyl)-2-ethoxy-N-propylbutan-1-amine (CID 116717237) is 1-(2,4-difluorophenyl)-2-ethoxy-N-propylbutan-1-amine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-ethoxy-N-propylbutan-1-amine?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-ethoxy-N-propylbutan-1-amine is CCCNC(c1ccc(F)cc1F)C(CC)OCC.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-ethoxy-N-propylbutan-1-amine?
The InChIKey is UKEVDXBNVUPGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO/c1-4-9-18-15(14(5-2)19-6-3)12-8-7-11(16)10-13(12)17/h7-8,10,14-15,18H,4-6,9H2,1-3H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-ethoxy-N-propylbutan-1-amine?
1-(2,4-difluorophenyl)-2-ethoxy-N-propylbutan-1-amine has a molecular weight of 271.35 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-ethoxy-N-propylbutan-1-amine is sourced from PubChem (CID 116717237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).