3-[(2-fluoro-N-methylanilino)methyl]phenol

C14H14FNO — CID 82978376

IUPAC3-[(2-fluoro-N-methylanilino)methyl]phenol
SMILESCN(Cc1cccc(O)c1)c1ccccc1F
InChIInChI=1S/C14H14FNO/c1-16(14-8-3-2-7-13(14)15)10-11-5-4-6-12(17)9-11/h2-9,17H,10H2,1H3
InChIKeyDMAUMMKINZLWQK-UHFFFAOYSA-N
MW231.27 g/mol
LogP3.17
Rot. Bonds3

About 3-[(2-fluoro-N-methylanilino)methyl]phenol

3-[(2-fluoro-N-methylanilino)methyl]phenol (PubChem CID 82978376) has the molecular formula C14H14FNO and a molecular weight of 231.27 g/mol. Its IUPAC name is 3-[(2-fluoro-N-methylanilino)methyl]phenol.

Molecular Properties

Compound Name3-[(2-fluoro-N-methylanilino)methyl]phenol
PubChem CID82978376
Molecular FormulaC14H14FNO
Molecular Weight231.27 g/mol
Exact Mass231.11
IUPAC Name3-[(2-fluoro-N-methylanilino)methyl]phenol
SMILESCN(Cc1cccc(O)c1)c1ccccc1F
InChIInChI=1S/C14H14FNO/c1-16(14-8-3-2-7-13(14)15)10-11-5-4-6-12(17)9-11/h2-9,17H,10H2,1H3
InChIKeyDMAUMMKINZLWQK-UHFFFAOYSA-N
XLogP3.17
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(N-ethyl-2-fluoroanilino)methyl]phenol
CID 82981692
3-[[(3-hydroxyphenyl)methyl-methylamino]methyl]phenol
CID 22070428
4-[(2-fluoro-N-methylanilino)methyl]-2,6-dimethoxyphenol
CID 82958062
N-[(3-hydroxyphenyl)methyl]-N-methylacetamide
CID 61150384
2-chloro-6-[(2-fluoro-N-methylanilino)methyl]phenol
CID 112616199
N-benzyl-2,4-difluoro-N-methylaniline
CID 110454539
1-[2-fluoro-6-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanone
CID 60967598
1-[2-[(3-bromophenyl)methyl-methylamino]-6-fluorophenyl]ethanone
CID 61068200
1-[2-[(3-bromophenyl)methyl-methylamino]-6-fluorophenyl]ethanol
CID 61416210
2-(2-aminoethyl)-N-benzyl-3-fluoro-N-methylaniline
CID 95465608
3-fluoro-N-methyl-N-[(3-methylphenyl)methyl]-2-nitroaniline
CID 61397771
[4-[(3-chlorophenyl)methyl-methylamino]-3-fluorophenyl]methanol
CID 61417217

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoro-N-methylanilino)methyl]phenol?
The IUPAC name of 3-[(2-fluoro-N-methylanilino)methyl]phenol (CID 82978376) is 3-[(2-fluoro-N-methylanilino)methyl]phenol.
What is the SMILES notation for 3-[(2-fluoro-N-methylanilino)methyl]phenol?
The canonical SMILES for 3-[(2-fluoro-N-methylanilino)methyl]phenol is CN(Cc1cccc(O)c1)c1ccccc1F.
What is the InChIKey of 3-[(2-fluoro-N-methylanilino)methyl]phenol?
The InChIKey is DMAUMMKINZLWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO/c1-16(14-8-3-2-7-13(14)15)10-11-5-4-6-12(17)9-11/h2-9,17H,10H2,1H3.
What are the key properties of 3-[(2-fluoro-N-methylanilino)methyl]phenol?
3-[(2-fluoro-N-methylanilino)methyl]phenol has a molecular weight of 231.27 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluoro-N-methylanilino)methyl]phenol is sourced from PubChem (CID 82978376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).