N-[(3,5-difluorophenyl)methyl]-2-ethoxy-4-methylaniline

C16H17F2NO — CID 106528416

IUPACN-[(3,5-difluorophenyl)methyl]-2-ethoxy-4-methylaniline
SMILESCCOc1cc(C)ccc1NCc1cc(F)cc(F)c1
InChIInChI=1S/C16H17F2NO/c1-3-20-16-6-11(2)4-5-15(16)19-10-12-7-13(17)9-14(18)8-12/h4-9,19H,3,10H2,1-2H3
InChIKeyYJMVYYNXJVAQDW-UHFFFAOYSA-N
MW277.31 g/mol
LogP4.28
Rot. Bonds5

About N-[(3,5-difluorophenyl)methyl]-2-ethoxy-4-methylaniline

N-[(3,5-difluorophenyl)methyl]-2-ethoxy-4-methylaniline (PubChem CID 106528416) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-2-ethoxy-4-methylaniline.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-2-ethoxy-4-methylaniline
PubChem CID106528416
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC NameN-[(3,5-difluorophenyl)methyl]-2-ethoxy-4-methylaniline
SMILESCCOc1cc(C)ccc1NCc1cc(F)cc(F)c1
InChIInChI=1S/C16H17F2NO/c1-3-20-16-6-11(2)4-5-15(16)19-10-12-7-13(17)9-14(18)8-12/h4-9,19H,3,10H2,1-2H3
InChIKeyYJMVYYNXJVAQDW-UHFFFAOYSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,5-difluorophenyl)methyl]-2-methoxy-4-methylaniline
CID 103852096
2-ethoxy-4-methyl-N-(thiophen-3-ylmethyl)aniline
CID 54864631
2-ethoxy-4-methyl-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104756640
3-[(2-ethoxy-4-methylanilino)methyl]phenol
CID 54864734
N-[(3-bromo-4-methylphenyl)methyl]-2-ethoxy-4-methylaniline
CID 105401396
2-ethoxy-N-[(2-ethoxyphenyl)methyl]-4-methylaniline
CID 60935397
2-ethoxy-4-[(2-methoxy-4-methylanilino)methyl]phenol
CID 60931979
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-fluoro-4-methylaniline
CID 28890884
N-[(3-bromothiophen-2-yl)methyl]-2-ethoxy-4-methylaniline
CID 115380178
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-ethoxy-4-methylaniline
CID 102834467
2-ethoxy-4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 87029742
2-ethoxy-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-4-methylaniline
CID 79612321

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-2-ethoxy-4-methylaniline?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-2-ethoxy-4-methylaniline (CID 106528416) is N-[(3,5-difluorophenyl)methyl]-2-ethoxy-4-methylaniline.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-2-ethoxy-4-methylaniline?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-2-ethoxy-4-methylaniline is CCOc1cc(C)ccc1NCc1cc(F)cc(F)c1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-2-ethoxy-4-methylaniline?
The InChIKey is YJMVYYNXJVAQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-3-20-16-6-11(2)4-5-15(16)19-10-12-7-13(17)9-14(18)8-12/h4-9,19H,3,10H2,1-2H3.
What are the key properties of N-[(3,5-difluorophenyl)methyl]-2-ethoxy-4-methylaniline?
N-[(3,5-difluorophenyl)methyl]-2-ethoxy-4-methylaniline has a molecular weight of 277.31 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-2-ethoxy-4-methylaniline is sourced from PubChem (CID 106528416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).