4-(2,2-difluoroethoxy)-1-(2-methoxyphenyl)-N-propylbutan-2-amine

C16H25F2NO2 — CID 103150052

IUPAC4-(2,2-difluoroethoxy)-1-(2-methoxyphenyl)-N-propylbutan-2-amine
SMILESCCCNC(CCOCC(F)F)Cc1ccccc1OC
InChIInChI=1S/C16H25F2NO2/c1-3-9-19-14(8-10-21-12-16(17)18)11-13-6-4-5-7-15(13)20-2/h4-7,14,16,19H,3,8-12H2,1-2H3
InChIKeyASNBGAFFHPKQHH-UHFFFAOYSA-N
MW301.38 g/mol
LogP3.28
Rot. Bonds11

About 4-(2,2-difluoroethoxy)-1-(2-methoxyphenyl)-N-propylbutan-2-amine

4-(2,2-difluoroethoxy)-1-(2-methoxyphenyl)-N-propylbutan-2-amine (PubChem CID 103150052) has the molecular formula C16H25F2NO2 and a molecular weight of 301.38 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-1-(2-methoxyphenyl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-1-(2-methoxyphenyl)-N-propylbutan-2-amine
PubChem CID103150052
Molecular FormulaC16H25F2NO2
Molecular Weight301.38 g/mol
Exact Mass301.19
IUPAC Name4-(2,2-difluoroethoxy)-1-(2-methoxyphenyl)-N-propylbutan-2-amine
SMILESCCCNC(CCOCC(F)F)Cc1ccccc1OC
InChIInChI=1S/C16H25F2NO2/c1-3-9-19-14(8-10-21-12-16(17)18)11-13-6-4-5-7-15(13)20-2/h4-7,14,16,19H,3,8-12H2,1-2H3
InChIKeyASNBGAFFHPKQHH-UHFFFAOYSA-N
XLogP3.28
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromophenyl)-4-(2,2-difluoroethoxy)-N-propylbutan-2-amine
CID 103149935
[4-(2,2-difluoroethoxy)-1-(2-methoxyphenyl)butan-2-yl]hydrazine
CID 103151796
1-(2-fluoro-3-methoxyphenyl)-4-propoxy-N-propylbutan-2-amine
CID 105180625
1-(2-methoxyphenyl)-3-phenyl-N-propylpropan-2-amine
CID 61263835
1-(2-methoxyphenyl)-3-methylsulfanyl-N-propylpropan-2-amine
CID 55108619
4-ethyl-1-(2-methoxyphenyl)-N-propylhexan-2-amine
CID 82922595
1-(5-chloro-2-methoxyphenyl)-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine
CID 103149649
1-(2-methoxyphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 65131449
1-(2-methoxyphenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 62501184
1-(cyclohexen-1-yl)-3-(2-methoxyphenyl)-N-propylpropan-2-amine
CID 116662039
1-(2-fluoro-3-methoxyphenyl)-N-propylhexan-2-amine
CID 104794123
1-(2-methoxyphenyl)-4-methyl-N-propylpent-4-en-2-amine
CID 79179978

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-1-(2-methoxyphenyl)-N-propylbutan-2-amine?
The IUPAC name of 4-(2,2-difluoroethoxy)-1-(2-methoxyphenyl)-N-propylbutan-2-amine (CID 103150052) is 4-(2,2-difluoroethoxy)-1-(2-methoxyphenyl)-N-propylbutan-2-amine.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-1-(2-methoxyphenyl)-N-propylbutan-2-amine?
The canonical SMILES for 4-(2,2-difluoroethoxy)-1-(2-methoxyphenyl)-N-propylbutan-2-amine is CCCNC(CCOCC(F)F)Cc1ccccc1OC.
What is the InChIKey of 4-(2,2-difluoroethoxy)-1-(2-methoxyphenyl)-N-propylbutan-2-amine?
The InChIKey is ASNBGAFFHPKQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2NO2/c1-3-9-19-14(8-10-21-12-16(17)18)11-13-6-4-5-7-15(13)20-2/h4-7,14,16,19H,3,8-12H2,1-2H3.
What are the key properties of 4-(2,2-difluoroethoxy)-1-(2-methoxyphenyl)-N-propylbutan-2-amine?
4-(2,2-difluoroethoxy)-1-(2-methoxyphenyl)-N-propylbutan-2-amine has a molecular weight of 301.38 g/mol, XLogP of 3.28, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-1-(2-methoxyphenyl)-N-propylbutan-2-amine is sourced from PubChem (CID 103150052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).