3-fluoro-N-methyl-2-[(2-methylphenoxy)methyl]aniline

C15H16FNO — CID 144784976

IUPAC3-fluoro-N-methyl-2-[(2-methylphenoxy)methyl]aniline
SMILESCNc1cccc(F)c1COc1ccccc1C
InChIInChI=1S/C15H16FNO/c1-11-6-3-4-9-15(11)18-10-12-13(16)7-5-8-14(12)17-2/h3-9,17H,10H2,1-2H3
InChIKeyITYDWIVRMBAAOR-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.75
Rot. Bonds4

About 3-fluoro-N-methyl-2-[(2-methylphenoxy)methyl]aniline

3-fluoro-N-methyl-2-[(2-methylphenoxy)methyl]aniline (PubChem CID 144784976) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is 3-fluoro-N-methyl-2-[(2-methylphenoxy)methyl]aniline.

Molecular Properties

Compound Name3-fluoro-N-methyl-2-[(2-methylphenoxy)methyl]aniline
PubChem CID144784976
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name3-fluoro-N-methyl-2-[(2-methylphenoxy)methyl]aniline
SMILESCNc1cccc(F)c1COc1ccccc1C
InChIInChI=1S/C15H16FNO/c1-11-6-3-4-9-15(11)18-10-12-13(16)7-5-8-14(12)17-2/h3-9,17H,10H2,1-2H3
InChIKeyITYDWIVRMBAAOR-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-N-methyl-2-[(2-methylphenoxy)methyl]aniline
CID 144738896
3-chloro-2-[(4-fluoro-2-methylphenoxy)methyl]-N-methylaniline
CID 144932971
3-methyl-4-[[2-methyl-6-(methylamino)phenyl]methoxy]phenol
CID 129110182
N,3-dimethyl-2-[(2-methyl-4-phenoxyphenoxy)methyl]aniline
CID 144784982
1,3-difluoro-2-[(2-iodophenoxy)methyl]benzene
CID 114930275
2-[[4-(4,5-difluoro-2-methoxyphenyl)-2,5-dimethylphenoxy]methyl]-N,3-dimethylaniline
CID 144785029
[3-methyl-4-[[2-methyl-6-(methylamino)phenyl]methoxy]phenyl]-phenylmethanone
CID 144659514
1,2-difluoro-3-[(2-fluoro-3-methylphenoxy)methyl]benzene
CID 107661926
3-methoxy-N-methyl-2-[(3-methyl-2-pyridinyl)oxymethyl]aniline
CID 144784150
N-methyl-2-[(2-methylphenoxy)methyl]-4-(trifluoromethyl)aniline
CID 144932781
O-methyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-fluorophenyl]carbamothioate
CID 126588100
O-ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-fluorophenyl]carbamothioate
CID 129038608

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-2-[(2-methylphenoxy)methyl]aniline?
The IUPAC name of 3-fluoro-N-methyl-2-[(2-methylphenoxy)methyl]aniline (CID 144784976) is 3-fluoro-N-methyl-2-[(2-methylphenoxy)methyl]aniline.
What is the SMILES notation for 3-fluoro-N-methyl-2-[(2-methylphenoxy)methyl]aniline?
The canonical SMILES for 3-fluoro-N-methyl-2-[(2-methylphenoxy)methyl]aniline is CNc1cccc(F)c1COc1ccccc1C.
What is the InChIKey of 3-fluoro-N-methyl-2-[(2-methylphenoxy)methyl]aniline?
The InChIKey is ITYDWIVRMBAAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-11-6-3-4-9-15(11)18-10-12-13(16)7-5-8-14(12)17-2/h3-9,17H,10H2,1-2H3.
What are the key properties of 3-fluoro-N-methyl-2-[(2-methylphenoxy)methyl]aniline?
3-fluoro-N-methyl-2-[(2-methylphenoxy)methyl]aniline has a molecular weight of 245.30 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-2-[(2-methylphenoxy)methyl]aniline is sourced from PubChem (CID 144784976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).