(2,6-difluorophenyl)-(2-ethoxy-5-methylphenyl)methanamine

C16H17F2NO — CID 62302991

IUPAC(2,6-difluorophenyl)-(2-ethoxy-5-methylphenyl)methanamine
SMILESCCOc1ccc(C)cc1C(N)c1c(F)cccc1F
InChIInChI=1S/C16H17F2NO/c1-3-20-14-8-7-10(2)9-11(14)16(19)15-12(17)5-4-6-13(15)18/h4-9,16H,3,19H2,1-2H3
InChIKeyYXIIUZJALYMMBY-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.72
Rot. Bonds4

About (2,6-difluorophenyl)-(2-ethoxy-5-methylphenyl)methanamine

(2,6-difluorophenyl)-(2-ethoxy-5-methylphenyl)methanamine (PubChem CID 62302991) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is (2,6-difluorophenyl)-(2-ethoxy-5-methylphenyl)methanamine.

Molecular Properties

Compound Name(2,6-difluorophenyl)-(2-ethoxy-5-methylphenyl)methanamine
PubChem CID62302991
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name(2,6-difluorophenyl)-(2-ethoxy-5-methylphenyl)methanamine
SMILESCCOc1ccc(C)cc1C(N)c1c(F)cccc1F
InChIInChI=1S/C16H17F2NO/c1-3-20-14-8-7-10(2)9-11(14)16(19)15-12(17)5-4-6-13(15)18/h4-9,16H,3,19H2,1-2H3
InChIKeyYXIIUZJALYMMBY-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

Analyze (2,6-difluorophenyl)-(2-ethoxy-5-methylphenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-fluoro-6-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 65434780
(2-chloro-6-fluorophenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 43626075
(2-ethoxy-5-methylphenyl)-(3-iodophenyl)methanamine
CID 55056840
(3,5-dibromophenyl)-(2-ethoxy-5-methylphenyl)methanamine
CID 107979822
1-ethoxy-2-fluoro-4-methylbenzene
CID 21057749
2-[chloro-(2-ethoxy-5-methylphenyl)methyl]-1,3-difluoro-4-methylbenzene
CID 82799142
(2,6-difluorophenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 43122336
(4,5-dibromothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methanamine
CID 80536380
1-chloro-2-[2-chloro-2-(2-ethoxy-5-methylphenyl)ethyl]-3-fluorobenzene
CID 63447690
(2,6-dimethoxyphenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 43626072
(2-ethoxy-5-methylphenyl)-(3-fluorophenyl)methanol
CID 62301823
(2S)-2-amino-2-(2-ethoxy-5-methylphenyl)acetic acid
CID 7016959

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-(2-ethoxy-5-methylphenyl)methanamine?
The IUPAC name of (2,6-difluorophenyl)-(2-ethoxy-5-methylphenyl)methanamine (CID 62302991) is (2,6-difluorophenyl)-(2-ethoxy-5-methylphenyl)methanamine.
What is the SMILES notation for (2,6-difluorophenyl)-(2-ethoxy-5-methylphenyl)methanamine?
The canonical SMILES for (2,6-difluorophenyl)-(2-ethoxy-5-methylphenyl)methanamine is CCOc1ccc(C)cc1C(N)c1c(F)cccc1F.
What is the InChIKey of (2,6-difluorophenyl)-(2-ethoxy-5-methylphenyl)methanamine?
The InChIKey is YXIIUZJALYMMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-3-20-14-8-7-10(2)9-11(14)16(19)15-12(17)5-4-6-13(15)18/h4-9,16H,3,19H2,1-2H3.
What are the key properties of (2,6-difluorophenyl)-(2-ethoxy-5-methylphenyl)methanamine?
(2,6-difluorophenyl)-(2-ethoxy-5-methylphenyl)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 (2,6-difluorophenyl)-(2-ethoxy-5-methylphenyl)methanamine is sourced from PubChem (CID 62302991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).