1-[4-(2-ethylphenoxy)-3,5-difluorophenyl]propan-2-amine

C17H19F2NO — CID 63802310

IUPAC1-[4-(2-ethylphenoxy)-3,5-difluorophenyl]propan-2-amine
SMILESCCc1ccccc1Oc1c(F)cc(CC(C)N)cc1F
InChIInChI=1S/C17H19F2NO/c1-3-13-6-4-5-7-16(13)21-17-14(18)9-12(8-11(2)20)10-15(17)19/h4-7,9-11H,3,8,20H2,1-2H3
InChIKeyVXEFQLVCSFYMOZ-UHFFFAOYSA-N
MW291.34 g/mol
LogP4.21
Rot. Bonds5

About 1-[4-(2-ethylphenoxy)-3,5-difluorophenyl]propan-2-amine

1-[4-(2-ethylphenoxy)-3,5-difluorophenyl]propan-2-amine (PubChem CID 63802310) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is 1-[4-(2-ethylphenoxy)-3,5-difluorophenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(2-ethylphenoxy)-3,5-difluorophenyl]propan-2-amine
PubChem CID63802310
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name1-[4-(2-ethylphenoxy)-3,5-difluorophenyl]propan-2-amine
SMILESCCc1ccccc1Oc1c(F)cc(CC(C)N)cc1F
InChIInChI=1S/C17H19F2NO/c1-3-13-6-4-5-7-16(13)21-17-14(18)9-12(8-11(2)20)10-15(17)19/h4-7,9-11H,3,8,20H2,1-2H3
InChIKeyVXEFQLVCSFYMOZ-UHFFFAOYSA-N
XLogP4.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(2-ethylphenoxy)-4-methylphenyl]propan-2-amine
CID 105411150
1-[4-(2-chloro-4-fluorophenoxy)-3,5-difluorophenyl]propan-2-amine
CID 63817670
1-[4-(2,4-dimethylphenoxy)-3,5-difluorophenyl]propan-2-amine
CID 63817006
4-(2-ethylphenoxy)-3,5-difluorobenzonitrile
CID 81282911
1-[4-[(2-bromophenyl)methoxy]-3,5-difluorophenyl]propan-2-amine
CID 79882528
4-(2-ethylphenoxy)-3,5-difluorobenzenecarboximidamide
CID 81293862
1-(4-ethoxy-3,5-difluorophenyl)propan-2-amine;hydrochloride
CID 170894171
[2-[4-(aminomethyl)-2,6-difluorophenoxy]phenyl]methanol
CID 63654481
1-[3-fluoro-4-(2-methoxyphenoxy)phenyl]propan-2-amine
CID 63803801
2-[4-(2-aminopropyl)-2,6-difluorophenoxy]-N-methylpropanamide
CID 79887608
1-(3-ethyl-4-fluorophenyl)propan-2-amine
CID 117278913
2-(2-ethylphenoxy)benzene-1,3-diol
CID 23109139

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethylphenoxy)-3,5-difluorophenyl]propan-2-amine?
The IUPAC name of 1-[4-(2-ethylphenoxy)-3,5-difluorophenyl]propan-2-amine (CID 63802310) is 1-[4-(2-ethylphenoxy)-3,5-difluorophenyl]propan-2-amine.
What is the SMILES notation for 1-[4-(2-ethylphenoxy)-3,5-difluorophenyl]propan-2-amine?
The canonical SMILES for 1-[4-(2-ethylphenoxy)-3,5-difluorophenyl]propan-2-amine is CCc1ccccc1Oc1c(F)cc(CC(C)N)cc1F.
What is the InChIKey of 1-[4-(2-ethylphenoxy)-3,5-difluorophenyl]propan-2-amine?
The InChIKey is VXEFQLVCSFYMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-3-13-6-4-5-7-16(13)21-17-14(18)9-12(8-11(2)20)10-15(17)19/h4-7,9-11H,3,8,20H2,1-2H3.
What are the key properties of 1-[4-(2-ethylphenoxy)-3,5-difluorophenyl]propan-2-amine?
1-[4-(2-ethylphenoxy)-3,5-difluorophenyl]propan-2-amine has a molecular weight of 291.34 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethylphenoxy)-3,5-difluorophenyl]propan-2-amine is sourced from PubChem (CID 63802310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).