(2,3-difluorophenyl)-(3-ethoxyphenyl)methanamine

C15H15F2NO — CID 63987975

IUPAC(2,3-difluorophenyl)-(3-ethoxyphenyl)methanamine
SMILESCCOc1cccc(C(N)c2cccc(F)c2F)c1
InChIInChI=1S/C15H15F2NO/c1-2-19-11-6-3-5-10(9-11)15(18)12-7-4-8-13(16)14(12)17/h3-9,15H,2,18H2,1H3
InChIKeySJDSWBICOXRTMC-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.41
Rot. Bonds4

About (2,3-difluorophenyl)-(3-ethoxyphenyl)methanamine

(2,3-difluorophenyl)-(3-ethoxyphenyl)methanamine (PubChem CID 63987975) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is (2,3-difluorophenyl)-(3-ethoxyphenyl)methanamine.

Molecular Properties

Compound Name(2,3-difluorophenyl)-(3-ethoxyphenyl)methanamine
PubChem CID63987975
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC Name(2,3-difluorophenyl)-(3-ethoxyphenyl)methanamine
SMILESCCOc1cccc(C(N)c2cccc(F)c2F)c1
InChIInChI=1S/C15H15F2NO/c1-2-19-11-6-3-5-10(9-11)15(18)12-7-4-8-13(16)14(12)17/h3-9,15H,2,18H2,1H3
InChIKeySJDSWBICOXRTMC-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-difluorophenyl)-(3-propoxyphenyl)methanamine
CID 115861923
(2,3-difluoro-4-methylphenyl)-(3-ethoxyphenyl)methanamine
CID 107513083
(3-ethoxyphenyl)-(3-fluorophenyl)methanamine
CID 60798040
N-[(2,3-difluorophenyl)-(3-ethoxyphenyl)methyl]ethanamine
CID 63988191
(4-bromo-2-fluorophenyl)-(3-ethoxyphenyl)methanamine
CID 114906102
2-(2,3-difluorophenyl)-1-(3-ethoxyphenyl)ethanamine
CID 62606426
(4-bromo-3-fluorophenyl)-(3-ethoxyphenyl)methanamine
CID 105022404
(2-chloro-5-fluorophenyl)-(3-ethoxyphenyl)methanamine
CID 105394638
(3-ethoxyphenyl)-(3-methylphenyl)methanamine
CID 60798038
(3-ethoxyphenyl)-(3-iodophenyl)methanamine
CID 105022183
(2-fluorophenyl)-(3-methoxyphenyl)methanamine
CID 62501632
(2,3-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 105050770

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-(3-ethoxyphenyl)methanamine?
The IUPAC name of (2,3-difluorophenyl)-(3-ethoxyphenyl)methanamine (CID 63987975) is (2,3-difluorophenyl)-(3-ethoxyphenyl)methanamine.
What is the SMILES notation for (2,3-difluorophenyl)-(3-ethoxyphenyl)methanamine?
The canonical SMILES for (2,3-difluorophenyl)-(3-ethoxyphenyl)methanamine is CCOc1cccc(C(N)c2cccc(F)c2F)c1.
What is the InChIKey of (2,3-difluorophenyl)-(3-ethoxyphenyl)methanamine?
The InChIKey is SJDSWBICOXRTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c1-2-19-11-6-3-5-10(9-11)15(18)12-7-4-8-13(16)14(12)17/h3-9,15H,2,18H2,1H3.
What are the key properties of (2,3-difluorophenyl)-(3-ethoxyphenyl)methanamine?
(2,3-difluorophenyl)-(3-ethoxyphenyl)methanamine has a molecular weight of 263.29 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)-(3-ethoxyphenyl)methanamine is sourced from PubChem (CID 63987975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).