N-[(2-ethoxyphenyl)methyl]-2,5-difluoro-4-methylaniline

C16H17F2NO — CID 103585263

IUPACN-[(2-ethoxyphenyl)methyl]-2,5-difluoro-4-methylaniline
SMILESCCOc1ccccc1CNc1cc(F)c(C)cc1F
InChIInChI=1S/C16H17F2NO/c1-3-20-16-7-5-4-6-12(16)10-19-15-9-13(17)11(2)8-14(15)18/h4-9,19H,3,10H2,1-2H3
InChIKeyKXUIXGKHIRBFRP-UHFFFAOYSA-N
MW277.31 g/mol
LogP4.28
Rot. Bonds5

About N-[(2-ethoxyphenyl)methyl]-2,5-difluoro-4-methylaniline

N-[(2-ethoxyphenyl)methyl]-2,5-difluoro-4-methylaniline (PubChem CID 103585263) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-2,5-difluoro-4-methylaniline.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-2,5-difluoro-4-methylaniline
PubChem CID103585263
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC NameN-[(2-ethoxyphenyl)methyl]-2,5-difluoro-4-methylaniline
SMILESCCOc1ccccc1CNc1cc(F)c(C)cc1F
InChIInChI=1S/C16H17F2NO/c1-3-20-16-7-5-4-6-12(16)10-19-15-9-13(17)11(2)8-14(15)18/h4-9,19H,3,10H2,1-2H3
InChIKeyKXUIXGKHIRBFRP-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-[[2-(difluoromethoxy)phenyl]methyl]-2,5-difluoro-4-methylaniline
CID 103585009
5-chloro-N-[(2-ethoxyphenyl)methyl]-2-methylaniline
CID 894349
N-[(2-ethoxyphenyl)methyl]-2,4-dimethylaniline
CID 29274401
N-[(2-aminophenyl)methyl]-2,5-difluoro-4-methylaniline
CID 103584865
2-ethoxy-N-[(2-ethoxyphenyl)methyl]-4-methylaniline
CID 60935397
2-ethoxy-4-fluoro-N-[(2-methylphenyl)methyl]aniline
CID 43730030
N-[(2-ethoxyphenyl)methyl]-2,6-difluoroaniline
CID 28879073
2-[(2-ethoxyphenyl)methylamino]-5-fluorobenzonitrile
CID 79033707
N-[(2-ethoxyphenyl)methyl]-2-iodoaniline
CID 28878592
N-[(2-ethoxyphenyl)methyl]-3-fluoroaniline
CID 23793082
4-ethoxy-5-fluoro-2-N-[(2-methoxyphenyl)methyl]benzene-1,2-diamine
CID 63592499
3-[(2-ethoxyphenyl)methylamino]-4-methylbenzoic acid
CID 17059260

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-2,5-difluoro-4-methylaniline?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-2,5-difluoro-4-methylaniline (CID 103585263) is N-[(2-ethoxyphenyl)methyl]-2,5-difluoro-4-methylaniline.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-2,5-difluoro-4-methylaniline?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-2,5-difluoro-4-methylaniline is CCOc1ccccc1CNc1cc(F)c(C)cc1F.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-2,5-difluoro-4-methylaniline?
The InChIKey is KXUIXGKHIRBFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-3-20-16-7-5-4-6-12(16)10-19-15-9-13(17)11(2)8-14(15)18/h4-9,19H,3,10H2,1-2H3.
What are the key properties of N-[(2-ethoxyphenyl)methyl]-2,5-difluoro-4-methylaniline?
N-[(2-ethoxyphenyl)methyl]-2,5-difluoro-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-[(2-ethoxyphenyl)methyl]-2,5-difluoro-4-methylaniline is sourced from PubChem (CID 103585263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).