N-[(2,3-difluorophenyl)methyl]-2-(2-methoxyethyl)aniline

C16H17F2NO — CID 102847298

IUPACN-[(2,3-difluorophenyl)methyl]-2-(2-methoxyethyl)aniline
SMILESCOCCc1ccccc1NCc1cccc(F)c1F
InChIInChI=1S/C16H17F2NO/c1-20-10-9-12-5-2-3-8-15(12)19-11-13-6-4-7-14(17)16(13)18/h2-8,19H,9-11H2,1H3
InChIKeyUJSCMXPYWLKBGQ-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.77
Rot. Bonds6

About N-[(2,3-difluorophenyl)methyl]-2-(2-methoxyethyl)aniline

N-[(2,3-difluorophenyl)methyl]-2-(2-methoxyethyl)aniline (PubChem CID 102847298) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is N-[(2,3-difluorophenyl)methyl]-2-(2-methoxyethyl)aniline.

Molecular Properties

Compound NameN-[(2,3-difluorophenyl)methyl]-2-(2-methoxyethyl)aniline
PubChem CID102847298
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC NameN-[(2,3-difluorophenyl)methyl]-2-(2-methoxyethyl)aniline
SMILESCOCCc1ccccc1NCc1cccc(F)c1F
InChIInChI=1S/C16H17F2NO/c1-20-10-9-12-5-2-3-8-15(12)19-11-13-6-4-7-14(17)16(13)18/h2-8,19H,9-11H2,1H3
InChIKeyUJSCMXPYWLKBGQ-UHFFFAOYSA-N
XLogP3.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-6-[[2-(2-methoxyethyl)anilino]methyl]phenol
CID 102847681
2-fluoro-4-[[2-(2-methoxyethyl)anilino]methyl]phenol
CID 107686073
2,3-difluoro-N-[(2-fluorophenyl)methyl]aniline
CID 61075368
2-(2-methoxyethyl)-N-(3,3,3-trifluoropropyl)aniline
CID 102847349
2-(2-methoxyethyl)-N-[[3-(methoxymethyl)phenyl]methyl]aniline
CID 102847288
2-[[2-(2-methoxyethyl)anilino]methyl]benzoic acid
CID 103268818
N-(1H-indol-4-ylmethyl)-2-(2-methoxyethyl)aniline
CID 102847657
N-[(2-aminophenyl)methyl]-2,3-difluoroaniline
CID 66419423
N-[(2,3-difluorophenyl)methyl]-3-methoxypropan-1-amine
CID 43234451
N-[(2,3-difluorophenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 113434288
2-(2-methoxyethyl)-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 102847704
N-[(3-chloro-4-pyridinyl)methyl]-2-(2-methoxyethyl)aniline
CID 102905183

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluorophenyl)methyl]-2-(2-methoxyethyl)aniline?
The IUPAC name of N-[(2,3-difluorophenyl)methyl]-2-(2-methoxyethyl)aniline (CID 102847298) is N-[(2,3-difluorophenyl)methyl]-2-(2-methoxyethyl)aniline.
What is the SMILES notation for N-[(2,3-difluorophenyl)methyl]-2-(2-methoxyethyl)aniline?
The canonical SMILES for N-[(2,3-difluorophenyl)methyl]-2-(2-methoxyethyl)aniline is COCCc1ccccc1NCc1cccc(F)c1F.
What is the InChIKey of N-[(2,3-difluorophenyl)methyl]-2-(2-methoxyethyl)aniline?
The InChIKey is UJSCMXPYWLKBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-20-10-9-12-5-2-3-8-15(12)19-11-13-6-4-7-14(17)16(13)18/h2-8,19H,9-11H2,1H3.
What are the key properties of N-[(2,3-difluorophenyl)methyl]-2-(2-methoxyethyl)aniline?
N-[(2,3-difluorophenyl)methyl]-2-(2-methoxyethyl)aniline has a molecular weight of 277.31 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluorophenyl)methyl]-2-(2-methoxyethyl)aniline is sourced from PubChem (CID 102847298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).