1-(3,4-difluorophenyl)-2-ethoxy-N-propylpentan-1-amine

C16H25F2NO — CID 116718368

IUPAC1-(3,4-difluorophenyl)-2-ethoxy-N-propylpentan-1-amine
SMILESCCCNC(c1ccc(F)c(F)c1)C(CCC)OCC
InChIInChI=1S/C16H25F2NO/c1-4-7-15(20-6-3)16(19-10-5-2)12-8-9-13(17)14(18)11-12/h8-9,11,15-16,19H,4-7,10H2,1-3H3
InChIKeyDDOFBVOGCFLTQY-UHFFFAOYSA-N
MW285.38 g/mol
LogP4.21
Rot. Bonds9

About 1-(3,4-difluorophenyl)-2-ethoxy-N-propylpentan-1-amine

1-(3,4-difluorophenyl)-2-ethoxy-N-propylpentan-1-amine (PubChem CID 116718368) has the molecular formula C16H25F2NO and a molecular weight of 285.38 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-ethoxy-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-ethoxy-N-propylpentan-1-amine
PubChem CID116718368
Molecular FormulaC16H25F2NO
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name1-(3,4-difluorophenyl)-2-ethoxy-N-propylpentan-1-amine
SMILESCCCNC(c1ccc(F)c(F)c1)C(CCC)OCC
InChIInChI=1S/C16H25F2NO/c1-4-7-15(20-6-3)16(19-10-5-2)12-8-9-13(17)14(18)11-12/h8-9,11,15-16,19H,4-7,10H2,1-3H3
InChIKeyDDOFBVOGCFLTQY-UHFFFAOYSA-N
XLogP4.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorophenyl)-2-methoxy-N-propylpentan-1-amine
CID 116719516
2-ethoxy-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine
CID 116717243
2-ethoxy-1-(4-methylphenyl)-N-propylpentan-1-amine
CID 116718350
1-(3,4-difluorophenyl)-2-ethoxy-3-methyl-N-propylbutan-1-amine
CID 116721756
1-(2,4-difluorophenyl)-2-ethoxy-N-propylpentan-1-amine
CID 116718342
1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N-propylpentan-1-amine
CID 116719391
2-ethoxy-1-(2-fluoro-4,6-dimethylphenyl)-N-propylpentan-1-amine
CID 106881995
2-ethoxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylpentan-1-amine
CID 107289370
1-(2,4-difluorophenyl)-2-ethoxy-N-propylbutan-1-amine
CID 116717237
2-ethoxy-1-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 116726046
1-(4-chloro-2-fluorophenyl)-2-ethoxy-N-ethylpentan-1-amine
CID 116717986
1-(3-bromo-4-fluorophenyl)-2-methyl-N-propylpentan-1-amine
CID 79747198

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-ethoxy-N-propylpentan-1-amine?
The IUPAC name of 1-(3,4-difluorophenyl)-2-ethoxy-N-propylpentan-1-amine (CID 116718368) is 1-(3,4-difluorophenyl)-2-ethoxy-N-propylpentan-1-amine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-ethoxy-N-propylpentan-1-amine?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-ethoxy-N-propylpentan-1-amine is CCCNC(c1ccc(F)c(F)c1)C(CCC)OCC.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-ethoxy-N-propylpentan-1-amine?
The InChIKey is DDOFBVOGCFLTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2NO/c1-4-7-15(20-6-3)16(19-10-5-2)12-8-9-13(17)14(18)11-12/h8-9,11,15-16,19H,4-7,10H2,1-3H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-ethoxy-N-propylpentan-1-amine?
1-(3,4-difluorophenyl)-2-ethoxy-N-propylpentan-1-amine has a molecular weight of 285.38 g/mol, XLogP of 4.21, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-ethoxy-N-propylpentan-1-amine is sourced from PubChem (CID 116718368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).