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

C17H19F2NO — CID 63817006

IUPAC1-[4-(2,4-dimethylphenoxy)-3,5-difluorophenyl]propan-2-amine
SMILESCc1ccc(Oc2c(F)cc(CC(C)N)cc2F)c(C)c1
InChIInChI=1S/C17H19F2NO/c1-10-4-5-16(11(2)6-10)21-17-14(18)8-13(7-12(3)20)9-15(17)19/h4-6,8-9,12H,7,20H2,1-3H3
InChIKeyRLDMZBOURJPCTC-UHFFFAOYSA-N
MW291.34 g/mol
LogP4.26
Rot. Bonds4

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

1-[4-(2,4-dimethylphenoxy)-3,5-difluorophenyl]propan-2-amine (PubChem CID 63817006) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is 1-[4-(2,4-dimethylphenoxy)-3,5-difluorophenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(2,4-dimethylphenoxy)-3,5-difluorophenyl]propan-2-amine
PubChem CID63817006
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name1-[4-(2,4-dimethylphenoxy)-3,5-difluorophenyl]propan-2-amine
SMILESCc1ccc(Oc2c(F)cc(CC(C)N)cc2F)c(C)c1
InChIInChI=1S/C17H19F2NO/c1-10-4-5-16(11(2)6-10)21-17-14(18)8-13(7-12(3)20)9-15(17)19/h4-6,8-9,12H,7,20H2,1-3H3
InChIKeyRLDMZBOURJPCTC-UHFFFAOYSA-N
XLogP4.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-chloro-4-fluorophenoxy)-3,5-difluorophenyl]propan-2-amine
CID 63817670
1-[4-(2-ethylphenoxy)-3,5-difluorophenyl]propan-2-amine
CID 63802310
[4-(2,4-dimethylphenoxy)-3-fluorophenyl]methanamine
CID 28966023
2-[4-(2-bromo-4-methylphenoxy)-3,5-difluorophenyl]ethanamine
CID 63801942
1-[3-fluoro-4-(2-fluoro-3-methylphenoxy)phenyl]propan-2-amine
CID 107661710
1-[4-(5-bromo-2,3-difluorophenoxy)-3-methylphenyl]propan-2-amine
CID 107101984
1-(4-ethoxy-3,5-difluorophenyl)propan-2-amine;hydrochloride
CID 170894171
4-(2-aminopropyl)-2,6-difluoro-N-methyl-N-(3-methylphenyl)aniline
CID 63815627
5-(chloromethyl)-1,3-difluoro-2-(5-methyl-2-propan-2-ylphenoxy)benzene
CID 63567841
1-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]propan-2-amine
CID 117288723
1-[4-(3-bromo-5-fluorophenoxy)-3-methylphenyl]propan-2-amine
CID 81326022
1-(3-chloro-5-fluoro-4-methoxyphenyl)propan-2-amine
CID 117310361

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-dimethylphenoxy)-3,5-difluorophenyl]propan-2-amine?
The IUPAC name of 1-[4-(2,4-dimethylphenoxy)-3,5-difluorophenyl]propan-2-amine (CID 63817006) is 1-[4-(2,4-dimethylphenoxy)-3,5-difluorophenyl]propan-2-amine.
What is the SMILES notation for 1-[4-(2,4-dimethylphenoxy)-3,5-difluorophenyl]propan-2-amine?
The canonical SMILES for 1-[4-(2,4-dimethylphenoxy)-3,5-difluorophenyl]propan-2-amine is Cc1ccc(Oc2c(F)cc(CC(C)N)cc2F)c(C)c1.
What is the InChIKey of 1-[4-(2,4-dimethylphenoxy)-3,5-difluorophenyl]propan-2-amine?
The InChIKey is RLDMZBOURJPCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-10-4-5-16(11(2)6-10)21-17-14(18)8-13(7-12(3)20)9-15(17)19/h4-6,8-9,12H,7,20H2,1-3H3.
What are the key properties of 1-[4-(2,4-dimethylphenoxy)-3,5-difluorophenyl]propan-2-amine?
1-[4-(2,4-dimethylphenoxy)-3,5-difluorophenyl]propan-2-amine has a molecular weight of 291.34 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-dimethylphenoxy)-3,5-difluorophenyl]propan-2-amine is sourced from PubChem (CID 63817006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).