1-[4-(2,2-difluoroethoxy)phenyl]-N-propylpropan-2-amine

C14H21F2NO — CID 115495220

IUPAC1-[4-(2,2-difluoroethoxy)phenyl]-N-propylpropan-2-amine
SMILESCCCNC(C)Cc1ccc(OCC(F)F)cc1
InChIInChI=1S/C14H21F2NO/c1-3-8-17-11(2)9-12-4-6-13(7-5-12)18-10-14(15)16/h4-7,11,14,17H,3,8-10H2,1-2H3
InChIKeyUEFZMAWQVXNFGG-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.26
Rot. Bonds8

About 1-[4-(2,2-difluoroethoxy)phenyl]-N-propylpropan-2-amine

1-[4-(2,2-difluoroethoxy)phenyl]-N-propylpropan-2-amine (PubChem CID 115495220) has the molecular formula C14H21F2NO and a molecular weight of 257.32 g/mol. Its IUPAC name is 1-[4-(2,2-difluoroethoxy)phenyl]-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-[4-(2,2-difluoroethoxy)phenyl]-N-propylpropan-2-amine
PubChem CID115495220
Molecular FormulaC14H21F2NO
Molecular Weight257.32 g/mol
Exact Mass257.16
IUPAC Name1-[4-(2,2-difluoroethoxy)phenyl]-N-propylpropan-2-amine
SMILESCCCNC(C)Cc1ccc(OCC(F)F)cc1
InChIInChI=1S/C14H21F2NO/c1-3-8-17-11(2)9-12-4-6-13(7-5-12)18-10-14(15)16/h4-7,11,14,17H,3,8-10H2,1-2H3
InChIKeyUEFZMAWQVXNFGG-UHFFFAOYSA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[2-(2-methylpropoxy)ethoxy]phenyl]-N-propylpropan-2-amine
CID 106450542
N-propyl-1-[4-[2-(trifluoromethoxy)ethoxy]phenyl]propan-2-amine
CID 115495127
1-[4-(2-ethylsulfonylethoxy)phenyl]-N-propylpropan-2-amine
CID 115495201
ethyl 2-[4-[2-(propylamino)propyl]phenoxy]acetate
CID 115495172
methyl 3-[4-[2-(propylamino)propyl]phenoxy]propanoate
CID 115495159
N-propyl-1-(4-propylphenyl)propan-2-amine
CID 82262360
1-[4-(oxolan-3-ylmethoxy)phenyl]-N-propylpropan-2-amine
CID 115495135
2-[4-[2-(propylamino)propyl]phenoxy]butanenitrile
CID 115495209
1-(4-butan-2-ylphenyl)-N-propylpropan-2-amine
CID 82262358
1-(4-phenoxyphenoxy)-N-propylpropan-2-amine
CID 63474715
1-[4-(2,2-difluoroethoxy)phenyl]-N-ethylethanamine
CID 60921749
N-ethyl-1-(4-heptoxyphenyl)propan-2-amine
CID 115494863

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2-difluoroethoxy)phenyl]-N-propylpropan-2-amine?
The IUPAC name of 1-[4-(2,2-difluoroethoxy)phenyl]-N-propylpropan-2-amine (CID 115495220) is 1-[4-(2,2-difluoroethoxy)phenyl]-N-propylpropan-2-amine.
What is the SMILES notation for 1-[4-(2,2-difluoroethoxy)phenyl]-N-propylpropan-2-amine?
The canonical SMILES for 1-[4-(2,2-difluoroethoxy)phenyl]-N-propylpropan-2-amine is CCCNC(C)Cc1ccc(OCC(F)F)cc1.
What is the InChIKey of 1-[4-(2,2-difluoroethoxy)phenyl]-N-propylpropan-2-amine?
The InChIKey is UEFZMAWQVXNFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO/c1-3-8-17-11(2)9-12-4-6-13(7-5-12)18-10-14(15)16/h4-7,11,14,17H,3,8-10H2,1-2H3.
What are the key properties of 1-[4-(2,2-difluoroethoxy)phenyl]-N-propylpropan-2-amine?
1-[4-(2,2-difluoroethoxy)phenyl]-N-propylpropan-2-amine has a molecular weight of 257.32 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2-difluoroethoxy)phenyl]-N-propylpropan-2-amine is sourced from PubChem (CID 115495220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).