(2,3-difluoro-4-methylphenyl)-(3-ethoxyphenyl)methanamine

C16H17F2NO — CID 107513083

IUPAC(2,3-difluoro-4-methylphenyl)-(3-ethoxyphenyl)methanamine
SMILESCCOc1cccc(C(N)c2ccc(C)c(F)c2F)c1
InChIInChI=1S/C16H17F2NO/c1-3-20-12-6-4-5-11(9-12)16(19)13-8-7-10(2)14(17)15(13)18/h4-9,16H,3,19H2,1-2H3
InChIKeyFPWAUMWWJUMPKL-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.72
Rot. Bonds4

About (2,3-difluoro-4-methylphenyl)-(3-ethoxyphenyl)methanamine

(2,3-difluoro-4-methylphenyl)-(3-ethoxyphenyl)methanamine (PubChem CID 107513083) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is (2,3-difluoro-4-methylphenyl)-(3-ethoxyphenyl)methanamine.

Molecular Properties

Compound Name(2,3-difluoro-4-methylphenyl)-(3-ethoxyphenyl)methanamine
PubChem CID107513083
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name(2,3-difluoro-4-methylphenyl)-(3-ethoxyphenyl)methanamine
SMILESCCOc1cccc(C(N)c2ccc(C)c(F)c2F)c1
InChIInChI=1S/C16H17F2NO/c1-3-20-12-6-4-5-11(9-12)16(19)13-8-7-10(2)14(17)15(13)18/h4-9,16H,3,19H2,1-2H3
InChIKeyFPWAUMWWJUMPKL-UHFFFAOYSA-N
XLogP3.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-difluorophenyl)-(3-ethoxyphenyl)methanamine
CID 63987975
(3-ethoxyphenyl)-(3-fluorophenyl)methanamine
CID 60798040
(4-bromo-2-fluorophenyl)-(3-ethoxyphenyl)methanamine
CID 114906102
(3-ethoxyphenyl)-(3-methylphenyl)methanamine
CID 60798038
(3-chloro-4-methylphenyl)-(3-ethoxyphenyl)methanamine
CID 105022224
(2-chloro-5-fluorophenyl)-(3-ethoxyphenyl)methanamine
CID 105394638
(2,3-difluorophenyl)-(3-propoxyphenyl)methanamine
CID 115861923
(4-bromo-3-fluorophenyl)-(3-ethoxyphenyl)methanamine
CID 105022404
(3-ethoxyphenyl)-(3-iodophenyl)methanamine
CID 105022183
(1R)-1-(3-ethoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171225210
(2-bromo-4-ethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 81477237
(3-ethoxyphenyl)-(6-methyl-3-pyridinyl)methanamine
CID 63156095

Frequently Asked Questions

What is the IUPAC name of (2,3-difluoro-4-methylphenyl)-(3-ethoxyphenyl)methanamine?
The IUPAC name of (2,3-difluoro-4-methylphenyl)-(3-ethoxyphenyl)methanamine (CID 107513083) is (2,3-difluoro-4-methylphenyl)-(3-ethoxyphenyl)methanamine.
What is the SMILES notation for (2,3-difluoro-4-methylphenyl)-(3-ethoxyphenyl)methanamine?
The canonical SMILES for (2,3-difluoro-4-methylphenyl)-(3-ethoxyphenyl)methanamine is CCOc1cccc(C(N)c2ccc(C)c(F)c2F)c1.
What is the InChIKey of (2,3-difluoro-4-methylphenyl)-(3-ethoxyphenyl)methanamine?
The InChIKey is FPWAUMWWJUMPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-3-20-12-6-4-5-11(9-12)16(19)13-8-7-10(2)14(17)15(13)18/h4-9,16H,3,19H2,1-2H3.
What are the key properties of (2,3-difluoro-4-methylphenyl)-(3-ethoxyphenyl)methanamine?
(2,3-difluoro-4-methylphenyl)-(3-ethoxyphenyl)methanamine has a molecular weight of 277.31 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluoro-4-methylphenyl)-(3-ethoxyphenyl)methanamine is sourced from PubChem (CID 107513083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).