2-fluoro-N-[(2-methoxyphenyl)methyl]aniline

C14H14FNO — CID 828379

IUPAC2-fluoro-N-[(2-methoxyphenyl)methyl]aniline
SMILESCOc1ccccc1CNc1ccccc1F
InChIInChI=1S/C14H14FNO/c1-17-14-9-5-2-6-11(14)10-16-13-8-4-3-7-12(13)15/h2-9,16H,10H2,1H3
InChIKeyCMHIMUDCJGMXGP-UHFFFAOYSA-N
MW231.27 g/mol
LogP3.45
Rot. Bonds4

About 2-fluoro-N-[(2-methoxyphenyl)methyl]aniline

2-fluoro-N-[(2-methoxyphenyl)methyl]aniline (PubChem CID 828379) has the molecular formula C14H14FNO and a molecular weight of 231.27 g/mol. Its IUPAC name is 2-fluoro-N-[(2-methoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name2-fluoro-N-[(2-methoxyphenyl)methyl]aniline
PubChem CID828379
Molecular FormulaC14H14FNO
Molecular Weight231.27 g/mol
Exact Mass231.11
IUPAC Name2-fluoro-N-[(2-methoxyphenyl)methyl]aniline
SMILESCOc1ccccc1CNc1ccccc1F
InChIInChI=1S/C14H14FNO/c1-17-14-9-5-2-6-11(14)10-16-13-8-4-3-7-12(13)15/h2-9,16H,10H2,1H3
InChIKeyCMHIMUDCJGMXGP-UHFFFAOYSA-N
XLogP3.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2-methoxyphenyl)methyl]aniline?
The IUPAC name of 2-fluoro-N-[(2-methoxyphenyl)methyl]aniline (CID 828379) is 2-fluoro-N-[(2-methoxyphenyl)methyl]aniline.
What is the SMILES notation for 2-fluoro-N-[(2-methoxyphenyl)methyl]aniline?
The canonical SMILES for 2-fluoro-N-[(2-methoxyphenyl)methyl]aniline is COc1ccccc1CNc1ccccc1F.
What is the InChIKey of 2-fluoro-N-[(2-methoxyphenyl)methyl]aniline?
The InChIKey is CMHIMUDCJGMXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO/c1-17-14-9-5-2-6-11(14)10-16-13-8-4-3-7-12(13)15/h2-9,16H,10H2,1H3.
What are the key properties of 2-fluoro-N-[(2-methoxyphenyl)methyl]aniline?
2-fluoro-N-[(2-methoxyphenyl)methyl]aniline has a molecular weight of 231.27 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(2-methoxyphenyl)methyl]aniline is sourced from PubChem (CID 828379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).