1-(2,6-difluorophenyl)-2-(3-methylphenoxy)ethanamine

C15H15F2NO — CID 16794540

IUPAC1-(2,6-difluorophenyl)-2-(3-methylphenoxy)ethanamine
SMILESCc1cccc(OCC(N)c2c(F)cccc2F)c1
InChIInChI=1S/C15H15F2NO/c1-10-4-2-5-11(8-10)19-9-14(18)15-12(16)6-3-7-13(15)17/h2-8,14H,9,18H2,1H3
InChIKeyKVJPIPMOEKDFOJ-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.35
Rot. Bonds4

About 1-(2,6-difluorophenyl)-2-(3-methylphenoxy)ethanamine

1-(2,6-difluorophenyl)-2-(3-methylphenoxy)ethanamine (PubChem CID 16794540) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-(3-methylphenoxy)ethanamine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-(3-methylphenoxy)ethanamine
PubChem CID16794540
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC Name1-(2,6-difluorophenyl)-2-(3-methylphenoxy)ethanamine
SMILESCc1cccc(OCC(N)c2c(F)cccc2F)c1
InChIInChI=1S/C15H15F2NO/c1-10-4-2-5-11(8-10)19-9-14(18)15-12(16)6-3-7-13(15)17/h2-8,14H,9,18H2,1H3
InChIKeyKVJPIPMOEKDFOJ-UHFFFAOYSA-N
XLogP3.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluoro-3-methylphenyl)-2-phenoxyethanamine
CID 82822133
2-(3-methylphenoxy)-1-naphthalen-2-ylethanamine
CID 43093388
2-amino-3-(3-methylphenoxy)propan-1-ol
CID 64802695
3,3-dimethyl-1-(3-methylphenoxy)butan-2-amine
CID 16795067
1-(2-fluoro-5-methylphenyl)-3-(3-methylphenoxy)propan-1-amine
CID 105143129
(2S)-2-methyl-3-(3-methylphenoxy)propan-1-amine
CID 93237376
2-(3-methoxyphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine
CID 43105318
1-(3-methylphenoxy)butan-2-ol
CID 13089920
2-(3-bromophenoxy)-1-(3-methylphenyl)ethanamine
CID 117242682
1-chloro-3-fluoro-2-[(3-methylphenoxy)methyl]benzene
CID 60627894
1-(2,6-difluoro-3-methylphenyl)-3-(3-methylphenoxy)propan-1-ol
CID 105121745
2-(3-ethylphenoxy)-1-(2,4,6-trimethylphenyl)ethanamine
CID 43109790

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-(3-methylphenoxy)ethanamine?
The IUPAC name of 1-(2,6-difluorophenyl)-2-(3-methylphenoxy)ethanamine (CID 16794540) is 1-(2,6-difluorophenyl)-2-(3-methylphenoxy)ethanamine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-(3-methylphenoxy)ethanamine?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-(3-methylphenoxy)ethanamine is Cc1cccc(OCC(N)c2c(F)cccc2F)c1.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-(3-methylphenoxy)ethanamine?
The InChIKey is KVJPIPMOEKDFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c1-10-4-2-5-11(8-10)19-9-14(18)15-12(16)6-3-7-13(15)17/h2-8,14H,9,18H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-(3-methylphenoxy)ethanamine?
1-(2,6-difluorophenyl)-2-(3-methylphenoxy)ethanamine has a molecular weight of 263.29 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-(3-methylphenoxy)ethanamine is sourced from PubChem (CID 16794540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).