1-[5-chloro-2-(2,2-difluoroethoxy)-3-methoxyphenyl]butan-2-amine

C13H18ClF2NO2 — CID 104667098

IUPAC1-[5-chloro-2-(2,2-difluoroethoxy)-3-methoxyphenyl]butan-2-amine
SMILESCCC(N)Cc1cc(Cl)cc(OC)c1OCC(F)F
InChIInChI=1S/C13H18ClF2NO2/c1-3-10(17)5-8-4-9(14)6-11(18-2)13(8)19-7-12(15)16/h4,6,10,12H,3,5,7,17H2,1-2H3
InChIKeyWVMZLRIEUNEFPJ-UHFFFAOYSA-N
MW293.74 g/mol
LogP3.27
Rot. Bonds7

About 1-[5-chloro-2-(2,2-difluoroethoxy)-3-methoxyphenyl]butan-2-amine

1-[5-chloro-2-(2,2-difluoroethoxy)-3-methoxyphenyl]butan-2-amine (PubChem CID 104667098) has the molecular formula C13H18ClF2NO2 and a molecular weight of 293.74 g/mol. Its IUPAC name is 1-[5-chloro-2-(2,2-difluoroethoxy)-3-methoxyphenyl]butan-2-amine.

Molecular Properties

Compound Name1-[5-chloro-2-(2,2-difluoroethoxy)-3-methoxyphenyl]butan-2-amine
PubChem CID104667098
Molecular FormulaC13H18ClF2NO2
Molecular Weight293.74 g/mol
Exact Mass293.10
IUPAC Name1-[5-chloro-2-(2,2-difluoroethoxy)-3-methoxyphenyl]butan-2-amine
SMILESCCC(N)Cc1cc(Cl)cc(OC)c1OCC(F)F
InChIInChI=1S/C13H18ClF2NO2/c1-3-10(17)5-8-4-9(14)6-11(18-2)13(8)19-7-12(15)16/h4,6,10,12H,3,5,7,17H2,1-2H3
InChIKeyWVMZLRIEUNEFPJ-UHFFFAOYSA-N
XLogP3.27
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.74
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[5-chloro-2-(2,2-difluoroethoxy)-3-methoxyphenyl]butan-2-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-[5-chloro-3-methoxy-2-(2-methylpentoxy)phenyl]butan-2-amine
CID 104667125
1-[5-chloro-2-[3-(dimethylamino)propoxy]-3-methoxyphenyl]butan-2-amine
CID 114526354
1-[5-chloro-2-(cyclopropylmethoxy)-3-methoxyphenyl]butan-2-amine
CID 104667102
1-[5-chloro-2-[(E)-3-chloro-2-methylprop-2-enoxy]-3-methoxyphenyl]butan-2-amine
CID 106439695
1-[5-chloro-3-methoxy-2-(1,3-thiazol-2-ylmethoxy)phenyl]butan-2-amine
CID 104667100
1-[5-chloro-3-methoxy-2-(1,3-thiazol-4-ylmethoxy)phenyl]butan-2-amine
CID 104667097
N-[[5-chloro-2-(2,2-difluoroethoxy)-3-methoxyphenyl]methyl]cyclopropanamine
CID 104664946
1-[3-chloro-2-(2,2-difluoroethoxy)phenyl]butan-2-amine
CID 112615794
1-(5-chloro-3-methoxy-2-propoxyphenyl)propan-2-amine
CID 104666968
5-chloro-1-(chloromethyl)-2-(2-ethylbutoxy)-3-methoxybenzene
CID 113438867
1-[3,5-dichloro-2-(methoxymethoxy)phenyl]butan-2-amine
CID 65364695
1-[5-chloro-3-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]propan-2-amine
CID 104667037

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(2,2-difluoroethoxy)-3-methoxyphenyl]butan-2-amine?
The IUPAC name of 1-[5-chloro-2-(2,2-difluoroethoxy)-3-methoxyphenyl]butan-2-amine (CID 104667098) is 1-[5-chloro-2-(2,2-difluoroethoxy)-3-methoxyphenyl]butan-2-amine.
What is the SMILES notation for 1-[5-chloro-2-(2,2-difluoroethoxy)-3-methoxyphenyl]butan-2-amine?
The canonical SMILES for 1-[5-chloro-2-(2,2-difluoroethoxy)-3-methoxyphenyl]butan-2-amine is CCC(N)Cc1cc(Cl)cc(OC)c1OCC(F)F.
What is the InChIKey of 1-[5-chloro-2-(2,2-difluoroethoxy)-3-methoxyphenyl]butan-2-amine?
The InChIKey is WVMZLRIEUNEFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClF2NO2/c1-3-10(17)5-8-4-9(14)6-11(18-2)13(8)19-7-12(15)16/h4,6,10,12H,3,5,7,17H2,1-2H3.
What are the key properties of 1-[5-chloro-2-(2,2-difluoroethoxy)-3-methoxyphenyl]butan-2-amine?
1-[5-chloro-2-(2,2-difluoroethoxy)-3-methoxyphenyl]butan-2-amine has a molecular weight of 293.74 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(2,2-difluoroethoxy)-3-methoxyphenyl]butan-2-amine is sourced from PubChem (CID 104667098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).