3,4-difluoro-N-[1-(2-methoxyphenyl)ethyl]aniline

C15H15F2NO — CID 43193828

IUPAC3,4-difluoro-N-[1-(2-methoxyphenyl)ethyl]aniline
SMILESCOc1ccccc1C(C)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H15F2NO/c1-10(12-5-3-4-6-15(12)19-2)18-11-7-8-13(16)14(17)9-11/h3-10,18H,1-2H3
InChIKeyKAUAFUKOUPMJHC-UHFFFAOYSA-N
MW263.29 g/mol
LogP4.15
Rot. Bonds4

About 3,4-difluoro-N-[1-(2-methoxyphenyl)ethyl]aniline

3,4-difluoro-N-[1-(2-methoxyphenyl)ethyl]aniline (PubChem CID 43193828) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is 3,4-difluoro-N-[1-(2-methoxyphenyl)ethyl]aniline.

Molecular Properties

Compound Name3,4-difluoro-N-[1-(2-methoxyphenyl)ethyl]aniline
PubChem CID43193828
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC Name3,4-difluoro-N-[1-(2-methoxyphenyl)ethyl]aniline
SMILESCOc1ccccc1C(C)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H15F2NO/c1-10(12-5-3-4-6-15(12)19-2)18-11-7-8-13(16)14(17)9-11/h3-10,18H,1-2H3
InChIKeyKAUAFUKOUPMJHC-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-difluoro-N-[1-(2-methylphenyl)ethyl]aniline
CID 43193860
4-N-[1-(2-fluorophenyl)ethyl]-2-methoxybenzene-1,4-diamine
CID 63676241
4-bromo-N-[1-(2-methoxyphenyl)ethyl]-3-methylaniline
CID 43192646
N-[1-(2-methoxyphenyl)ethyl]-3-propan-2-ylaniline
CID 43106859
N-[1-(3,4-difluorophenyl)ethyl]-4-fluoro-3-methoxyaniline
CID 114838632
4-bromo-3-chloro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 107618729
3-fluoro-N-[1-(2-fluorophenyl)ethyl]-4-methylaniline
CID 43195584
N-[3-[1-(2-methoxyphenyl)ethylamino]phenyl]acetamide
CID 43193717
4-chloro-N-[1-(2-ethoxyphenyl)ethyl]-3-methoxyaniline
CID 107620944
N-[1-(2-fluorophenyl)ethyl]-3,4-dimethylaniline
CID 43194139
3-fluoro-4-methyl-N-[1-(2-methylphenyl)ethyl]aniline
CID 43101633
2,5-dichloro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 43107869

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[1-(2-methoxyphenyl)ethyl]aniline?
The IUPAC name of 3,4-difluoro-N-[1-(2-methoxyphenyl)ethyl]aniline (CID 43193828) is 3,4-difluoro-N-[1-(2-methoxyphenyl)ethyl]aniline.
What is the SMILES notation for 3,4-difluoro-N-[1-(2-methoxyphenyl)ethyl]aniline?
The canonical SMILES for 3,4-difluoro-N-[1-(2-methoxyphenyl)ethyl]aniline is COc1ccccc1C(C)Nc1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[1-(2-methoxyphenyl)ethyl]aniline?
The InChIKey is KAUAFUKOUPMJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c1-10(12-5-3-4-6-15(12)19-2)18-11-7-8-13(16)14(17)9-11/h3-10,18H,1-2H3.
What are the key properties of 3,4-difluoro-N-[1-(2-methoxyphenyl)ethyl]aniline?
3,4-difluoro-N-[1-(2-methoxyphenyl)ethyl]aniline has a molecular weight of 263.29 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[1-(2-methoxyphenyl)ethyl]aniline is sourced from PubChem (CID 43193828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).