N-[1-(3,4-difluorophenyl)ethyl]-3-methoxyaniline

C15H15F2NO — CID 43196392

IUPACN-[1-(3,4-difluorophenyl)ethyl]-3-methoxyaniline
SMILESCOc1cccc(NC(C)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C15H15F2NO/c1-10(11-6-7-14(16)15(17)8-11)18-12-4-3-5-13(9-12)19-2/h3-10,18H,1-2H3
InChIKeyWLOGAOXGIZUXSG-UHFFFAOYSA-N
MW263.29 g/mol
LogP4.15
Rot. Bonds4

About N-[1-(3,4-difluorophenyl)ethyl]-3-methoxyaniline

N-[1-(3,4-difluorophenyl)ethyl]-3-methoxyaniline (PubChem CID 43196392) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-3-methoxyaniline.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-3-methoxyaniline
PubChem CID43196392
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-3-methoxyaniline
SMILESCOc1cccc(NC(C)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C15H15F2NO/c1-10(11-6-7-14(16)15(17)8-11)18-12-4-3-5-13(9-12)19-2/h3-10,18H,1-2H3
InChIKeyWLOGAOXGIZUXSG-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

2-(3,4-difluorophenyl)-2-(3-methoxyanilino)acetic acid
CID 60993011
N-[1-(3,4-difluorophenyl)ethyl]-4-fluoro-3-methoxyaniline
CID 114838632
3-fluoro-4-methoxy-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43380564
5-fluoro-2-[1-(3-methoxyanilino)ethyl]phenol
CID 55146491
(1S)-N-[1-(3,4-difluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 81367859
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-methoxyaniline
CID 43765572
3-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-5-methoxyaniline
CID 82857288
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43190042
3-ethyl-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43196055
N-[1-(3,4-difluorophenyl)ethyl]pyrimidin-5-amine
CID 107587984
3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43108106
2-fluoro-N-[1-(3-methoxyphenyl)ethyl]-5-methylaniline
CID 43122780

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-3-methoxyaniline?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-3-methoxyaniline (CID 43196392) is N-[1-(3,4-difluorophenyl)ethyl]-3-methoxyaniline.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-3-methoxyaniline?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-3-methoxyaniline is COc1cccc(NC(C)c2ccc(F)c(F)c2)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-3-methoxyaniline?
The InChIKey is WLOGAOXGIZUXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c1-10(11-6-7-14(16)15(17)8-11)18-12-4-3-5-13(9-12)19-2/h3-10,18H,1-2H3.
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-3-methoxyaniline?
N-[1-(3,4-difluorophenyl)ethyl]-3-methoxyaniline 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 N-[1-(3,4-difluorophenyl)ethyl]-3-methoxyaniline is sourced from PubChem (CID 43196392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).