2-(2,2-difluoroethoxy)-1-(4-ethylphenyl)-N-methylpropan-1-amine

C14H21F2NO — CID 82004948

IUPAC2-(2,2-difluoroethoxy)-1-(4-ethylphenyl)-N-methylpropan-1-amine
SMILESCCc1ccc(C(NC)C(C)OCC(F)F)cc1
InChIInChI=1S/C14H21F2NO/c1-4-11-5-7-12(8-6-11)14(17-3)10(2)18-9-13(15)16/h5-8,10,13-14,17H,4,9H2,1-3H3
InChIKeyMFAOLTRRMDXLDI-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.18
Rot. Bonds7

About 2-(2,2-difluoroethoxy)-1-(4-ethylphenyl)-N-methylpropan-1-amine

2-(2,2-difluoroethoxy)-1-(4-ethylphenyl)-N-methylpropan-1-amine (PubChem CID 82004948) has the molecular formula C14H21F2NO and a molecular weight of 257.32 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-1-(4-ethylphenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-1-(4-ethylphenyl)-N-methylpropan-1-amine
PubChem CID82004948
Molecular FormulaC14H21F2NO
Molecular Weight257.32 g/mol
Exact Mass257.16
IUPAC Name2-(2,2-difluoroethoxy)-1-(4-ethylphenyl)-N-methylpropan-1-amine
SMILESCCc1ccc(C(NC)C(C)OCC(F)F)cc1
InChIInChI=1S/C14H21F2NO/c1-4-11-5-7-12(8-6-11)14(17-3)10(2)18-9-13(15)16/h5-8,10,13-14,17H,4,9H2,1-3H3
InChIKeyMFAOLTRRMDXLDI-UHFFFAOYSA-N
XLogP3.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)propan-1-amine
CID 66275433
2-(3,3-dimethylbutoxy)-1-(4-ethylphenyl)-N-methylpropan-1-amine
CID 66234272
1-(4-ethylphenyl)-1-N-methylpropane-1,2-diamine
CID 116948027
1-(4-ethylphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
CID 103309571
2-(2,2-difluoroethoxy)-1-phenyl-N-propylpropan-1-amine
CID 82004553
1-(4-ethylphenyl)-N-methyl-2-(3-methylphenoxy)propan-1-amine
CID 63473996
2-methoxy-N-methyl-1-(4-propylphenyl)propan-1-amine
CID 79617048
2-(2,2-difluoroethoxy)-1-(4-ethylphenyl)propan-1-one
CID 82006429
3-(4-ethylphenyl)-1-fluoro-N-methylbutan-2-amine
CID 134316625
[1-(4-ethylphenyl)-2-methylbutyl]hydrazine
CID 105197447
1-(4-ethylphenyl)-1-N,2-N-dimethyl-2-N-(4-methylpentan-2-yl)propane-1,2-diamine
CID 63467800
(4-ethylphenyl)-(methylamino)methanethiol
CID 116954449

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-1-(4-ethylphenyl)-N-methylpropan-1-amine?
The IUPAC name of 2-(2,2-difluoroethoxy)-1-(4-ethylphenyl)-N-methylpropan-1-amine (CID 82004948) is 2-(2,2-difluoroethoxy)-1-(4-ethylphenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-1-(4-ethylphenyl)-N-methylpropan-1-amine?
The canonical SMILES for 2-(2,2-difluoroethoxy)-1-(4-ethylphenyl)-N-methylpropan-1-amine is CCc1ccc(C(NC)C(C)OCC(F)F)cc1.
What is the InChIKey of 2-(2,2-difluoroethoxy)-1-(4-ethylphenyl)-N-methylpropan-1-amine?
The InChIKey is MFAOLTRRMDXLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO/c1-4-11-5-7-12(8-6-11)14(17-3)10(2)18-9-13(15)16/h5-8,10,13-14,17H,4,9H2,1-3H3.
What are the key properties of 2-(2,2-difluoroethoxy)-1-(4-ethylphenyl)-N-methylpropan-1-amine?
2-(2,2-difluoroethoxy)-1-(4-ethylphenyl)-N-methylpropan-1-amine has a molecular weight of 257.32 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-1-(4-ethylphenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 82004948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).