1-(2,5-difluorophenyl)-3-ethoxy-N-ethyl-3-methylbutan-2-amine

C15H23F2NO — CID 116726754

IUPAC1-(2,5-difluorophenyl)-3-ethoxy-N-ethyl-3-methylbutan-2-amine
SMILESCCNC(Cc1cc(F)ccc1F)C(C)(C)OCC
InChIInChI=1S/C15H23F2NO/c1-5-18-14(15(3,4)19-6-2)10-11-9-12(16)7-8-13(11)17/h7-9,14,18H,5-6,10H2,1-4H3
InChIKeyVOPZRQBTPNVMQV-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.30
Rot. Bonds7

About 1-(2,5-difluorophenyl)-3-ethoxy-N-ethyl-3-methylbutan-2-amine

1-(2,5-difluorophenyl)-3-ethoxy-N-ethyl-3-methylbutan-2-amine (PubChem CID 116726754) has the molecular formula C15H23F2NO and a molecular weight of 271.35 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-3-ethoxy-N-ethyl-3-methylbutan-2-amine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-3-ethoxy-N-ethyl-3-methylbutan-2-amine
PubChem CID116726754
Molecular FormulaC15H23F2NO
Molecular Weight271.35 g/mol
Exact Mass271.17
IUPAC Name1-(2,5-difluorophenyl)-3-ethoxy-N-ethyl-3-methylbutan-2-amine
SMILESCCNC(Cc1cc(F)ccc1F)C(C)(C)OCC
InChIInChI=1S/C15H23F2NO/c1-5-18-14(15(3,4)19-6-2)10-11-9-12(16)7-8-13(11)17/h7-9,14,18H,5-6,10H2,1-4H3
InChIKeyVOPZRQBTPNVMQV-UHFFFAOYSA-N
XLogP3.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-difluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine
CID 79064460
1-(2-bromo-5-fluorophenyl)-3-ethoxy-3-methyl-N-propylbutan-2-amine
CID 116727031
3-ethoxy-N-ethyl-1-(4-ethylphenyl)-3-methylbutan-2-amine
CID 116726891
1-(2,5-difluorophenyl)-3-ethoxy-N-ethylpentan-2-amine
CID 116716823
1-(3,5-dimethylphenyl)-3-ethoxy-N-ethyl-3-methylbutan-2-amine
CID 116726799
3-ethoxy-N-ethyl-3-methyl-1-(2,4,6-trimethylphenyl)butan-2-amine
CID 116726736
1-(2,5-difluorophenyl)-N-ethyl-3,4-dimethylpentan-2-amine
CID 115810544
2-(2,5-difluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-ethylethanamine
CID 65390250
1-(4-bromo-2-fluorophenyl)-3-ethoxy-N-ethyl-3-methylpentan-2-amine
CID 116759011
1-(2-chloro-5-fluorophenyl)-2-N,3-N,3-N-triethyl-3-methylbutane-2,3-diamine
CID 102619050
1-(4,4-difluorocyclohexyl)-2-(2,5-difluorophenyl)-N-ethylethanamine
CID 105105078
3-ethoxy-N-ethyl-1-(3-fluorophenyl)-3-methylpentan-2-amine
CID 116759095

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-3-ethoxy-N-ethyl-3-methylbutan-2-amine?
The IUPAC name of 1-(2,5-difluorophenyl)-3-ethoxy-N-ethyl-3-methylbutan-2-amine (CID 116726754) is 1-(2,5-difluorophenyl)-3-ethoxy-N-ethyl-3-methylbutan-2-amine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-3-ethoxy-N-ethyl-3-methylbutan-2-amine?
The canonical SMILES for 1-(2,5-difluorophenyl)-3-ethoxy-N-ethyl-3-methylbutan-2-amine is CCNC(Cc1cc(F)ccc1F)C(C)(C)OCC.
What is the InChIKey of 1-(2,5-difluorophenyl)-3-ethoxy-N-ethyl-3-methylbutan-2-amine?
The InChIKey is VOPZRQBTPNVMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO/c1-5-18-14(15(3,4)19-6-2)10-11-9-12(16)7-8-13(11)17/h7-9,14,18H,5-6,10H2,1-4H3.
What are the key properties of 1-(2,5-difluorophenyl)-3-ethoxy-N-ethyl-3-methylbutan-2-amine?
1-(2,5-difluorophenyl)-3-ethoxy-N-ethyl-3-methylbutan-2-amine has a molecular weight of 271.35 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-3-ethoxy-N-ethyl-3-methylbutan-2-amine is sourced from PubChem (CID 116726754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).