1-(3,5-difluorophenyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine

C16H25F2NO — CID 116759448

IUPAC1-(3,5-difluorophenyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine
SMILESCCCNC(c1cc(F)cc(F)c1)C(C)(CC)OCC
InChIInChI=1S/C16H25F2NO/c1-5-8-19-15(16(4,6-2)20-7-3)12-9-13(17)11-14(18)10-12/h9-11,15,19H,5-8H2,1-4H3
InChIKeyMKDXNUXQFHUARH-UHFFFAOYSA-N
MW285.38 g/mol
LogP4.21
Rot. Bonds8

About 1-(3,5-difluorophenyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine

1-(3,5-difluorophenyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine (PubChem CID 116759448) has the molecular formula C16H25F2NO and a molecular weight of 285.38 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine
PubChem CID116759448
Molecular FormulaC16H25F2NO
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name1-(3,5-difluorophenyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine
SMILESCCCNC(c1cc(F)cc(F)c1)C(C)(CC)OCC
InChIInChI=1S/C16H25F2NO/c1-5-8-19-15(16(4,6-2)20-7-3)12-9-13(17)11-14(18)10-12/h9-11,15,19H,5-8H2,1-4H3
InChIKeyMKDXNUXQFHUARH-UHFFFAOYSA-N
XLogP4.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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

Analyze 1-(3,5-difluorophenyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,5-difluorophenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 115851763
1-(3,5-difluorophenyl)-3-ethoxy-3-methyl-N-propylpentan-2-amine
CID 105407062
2-ethoxy-1-(3-fluoro-5-methylphenyl)-N,2-dimethylbutan-1-amine
CID 116758965
1-(2,6-difluorophenyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine
CID 116759422
2-ethoxy-1-(furan-3-yl)-2-methyl-N-propylbutan-1-amine
CID 116759332
2-ethoxy-1-(5-fluoro-2-methoxyphenyl)-2-methyl-N-propylbutan-1-amine
CID 116759257
2-ethoxy-2-methyl-N-propyl-1-(3-propylphenyl)butan-1-amine
CID 116759318
1-(3,5-difluorophenyl)-N-ethyl-2-methoxy-2-methylbutan-1-amine
CID 116758076
1-(3-fluoro-5-methylphenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 79703432
1-(3-fluoro-5-methylphenyl)-2-methoxy-2-methyl-N-propylpropan-1-amine
CID 79705438
1-(cyclohexen-1-yl)-2-ethoxy-2-methyl-N-propylbutan-1-amine
CID 106654559
1-(3,5-dimethylphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine
CID 116758294

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-(3,5-difluorophenyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine (CID 116759448) is 1-(3,5-difluorophenyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(3,5-difluorophenyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine is CCCNC(c1cc(F)cc(F)c1)C(C)(CC)OCC.
What is the InChIKey of 1-(3,5-difluorophenyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine?
The InChIKey is MKDXNUXQFHUARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2NO/c1-5-8-19-15(16(4,6-2)20-7-3)12-9-13(17)11-14(18)10-12/h9-11,15,19H,5-8H2,1-4H3.
What are the key properties of 1-(3,5-difluorophenyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine?
1-(3,5-difluorophenyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine has a molecular weight of 285.38 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 116759448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).