1-(2,3-dichlorophenyl)-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine

C14H19Cl2F2NO — CID 107309180

IUPAC1-(2,3-dichlorophenyl)-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine
SMILESCCNC(CCOCC(F)F)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C14H19Cl2F2NO/c1-2-19-11(6-7-20-9-13(17)18)8-10-4-3-5-12(15)14(10)16/h3-5,11,13,19H,2,6-9H2,1H3
InChIKeyTXRZJVFAEGTWHV-UHFFFAOYSA-N
MW326.21 g/mol
LogP4.19
Rot. Bonds9

About 1-(2,3-dichlorophenyl)-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine

1-(2,3-dichlorophenyl)-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine (PubChem CID 107309180) has the molecular formula C14H19Cl2F2NO and a molecular weight of 326.21 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine
PubChem CID107309180
Molecular FormulaC14H19Cl2F2NO
Molecular Weight326.21 g/mol
Exact Mass325.08
IUPAC Name1-(2,3-dichlorophenyl)-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine
SMILESCCNC(CCOCC(F)F)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C14H19Cl2F2NO/c1-2-19-11(6-7-20-9-13(17)18)8-10-4-3-5-12(15)14(10)16/h3-5,11,13,19H,2,6-9H2,1H3
InChIKeyTXRZJVFAEGTWHV-UHFFFAOYSA-N
XLogP4.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.21
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine
CID 103149649
3-(2,3-dichlorophenyl)-N-ethyl-1,1-difluoropropan-2-amine
CID 107311776
1-(2,3-dichlorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 107308560
1-(2,6-dichlorophenyl)-4-ethoxy-N-ethylbutan-2-amine
CID 112688260
4-(2,2-difluoroethoxy)-N-ethyl-1-(3-methoxyphenyl)butan-2-amine
CID 103149560
1-cyclobutyl-3-(2,3-dichlorophenyl)-N-ethylpropan-2-amine
CID 107311774
1-(2-bromophenyl)-4-(2,2-difluoroethoxy)-N-propylbutan-2-amine
CID 103149935
[1-(2,6-dichlorophenyl)-4-(2,2-difluoroethoxy)butan-2-yl]hydrazine
CID 103152068
4-(2,2-difluoroethoxy)-1-(3,5-difluorophenyl)-N-ethylbutan-2-amine
CID 103149509
4-(2,2-difluoroethoxy)-1-(2-methoxyphenyl)-N-propylbutan-2-amine
CID 103150052
1-(3-chloro-2-fluorophenyl)-3-ethoxy-N-ethylpropan-2-amine
CID 82806801
1-(2-chloro-6-fluorophenyl)-N-ethyl-4-propoxybutan-2-amine
CID 105105675

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine (CID 107309180) is 1-(2,3-dichlorophenyl)-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine is CCNC(CCOCC(F)F)Cc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine?
The InChIKey is TXRZJVFAEGTWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2F2NO/c1-2-19-11(6-7-20-9-13(17)18)8-10-4-3-5-12(15)14(10)16/h3-5,11,13,19H,2,6-9H2,1H3.
What are the key properties of 1-(2,3-dichlorophenyl)-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine?
1-(2,3-dichlorophenyl)-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine has a molecular weight of 326.21 g/mol, XLogP of 4.19, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine is sourced from PubChem (CID 107309180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).