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

C16H25F2NO — CID 116725875

IUPAC1-(3,4-difluorophenyl)-2-ethoxy-N-ethyl-3,3-dimethylbutan-1-amine
SMILESCCNC(c1ccc(F)c(F)c1)C(OCC)C(C)(C)C
InChIInChI=1S/C16H25F2NO/c1-6-19-14(15(20-7-2)16(3,4)5)11-8-9-12(17)13(18)10-11/h8-10,14-15,19H,6-7H2,1-5H3
InChIKeyCNSJLOWYJWPKMO-UHFFFAOYSA-N
MW285.38 g/mol
LogP4.07
Rot. Bonds6

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

1-(3,4-difluorophenyl)-2-ethoxy-N-ethyl-3,3-dimethylbutan-1-amine (PubChem CID 116725875) 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-ethyl-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-ethoxy-N-ethyl-3,3-dimethylbutan-1-amine
PubChem CID116725875
Molecular FormulaC16H25F2NO
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name1-(3,4-difluorophenyl)-2-ethoxy-N-ethyl-3,3-dimethylbutan-1-amine
SMILESCCNC(c1ccc(F)c(F)c1)C(OCC)C(C)(C)C
InChIInChI=1S/C16H25F2NO/c1-6-19-14(15(20-7-2)16(3,4)5)11-8-9-12(17)13(18)10-11/h8-10,14-15,19H,6-7H2,1-5H3
InChIKeyCNSJLOWYJWPKMO-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-1-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 116726046
1-(5-bromo-2-fluorophenyl)-2-ethoxy-N-ethyl-3,3-dimethylbutan-1-amine
CID 116725766
1-(3,4-difluorophenyl)-N-ethyl-2-methoxy-2-methylpropan-1-amine
CID 79197452
1-(3,4-difluorophenyl)-N-ethyl-2,2,2-trifluoroethanamine
CID 43491310
1-(3,4-difluorophenyl)-2-ethoxy-3-methyl-N-propylbutan-1-amine
CID 116721756
1-(3,4-difluorophenyl)-N-ethyl-2-methoxy-2-phenylethanamine
CID 116773143
1-(3,4-dimethylphenyl)-2-ethoxy-N,3,3-trimethylbutan-1-amine
CID 116725660
1-(4-chloro-2-fluorophenyl)-2-ethoxy-3,3-dimethyl-N-propylbutan-1-amine
CID 116725980
1-(5-bromo-2-fluorophenyl)-3-ethoxy-N-ethyl-4,4-dimethylpentan-2-amine
CID 116725728
2,2-diethoxy-N-ethyl-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 79495027
1-(3,4-dimethoxyphenyl)-N-ethyl-2-methoxy-3,3-dimethylbutan-1-amine
CID 116724757
methyl 2-(3,4-difluorophenyl)-2-(ethylamino)acetate
CID 60787024

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-ethoxy-N-ethyl-3,3-dimethylbutan-1-amine?
The IUPAC name of 1-(3,4-difluorophenyl)-2-ethoxy-N-ethyl-3,3-dimethylbutan-1-amine (CID 116725875) is 1-(3,4-difluorophenyl)-2-ethoxy-N-ethyl-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-ethoxy-N-ethyl-3,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-ethoxy-N-ethyl-3,3-dimethylbutan-1-amine is CCNC(c1ccc(F)c(F)c1)C(OCC)C(C)(C)C.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-ethoxy-N-ethyl-3,3-dimethylbutan-1-amine?
The InChIKey is CNSJLOWYJWPKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2NO/c1-6-19-14(15(20-7-2)16(3,4)5)11-8-9-12(17)13(18)10-11/h8-10,14-15,19H,6-7H2,1-5H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-ethoxy-N-ethyl-3,3-dimethylbutan-1-amine?
1-(3,4-difluorophenyl)-2-ethoxy-N-ethyl-3,3-dimethylbutan-1-amine has a molecular weight of 285.38 g/mol, XLogP of 4.07, 6 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-ethyl-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 116725875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).