2-[(2-fluoro-N-methylanilino)methyl]butan-1-ol

C12H18FNO — CID 115250709

IUPAC2-[(2-fluoro-N-methylanilino)methyl]butan-1-ol
SMILESCCC(CO)CN(C)c1ccccc1F
InChIInChI=1S/C12H18FNO/c1-3-10(9-15)8-14(2)12-7-5-4-6-11(12)13/h4-7,10,15H,3,8-9H2,1-2H3
InChIKeyGQYMFYSRHBZQRU-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.28
Rot. Bonds5

About 2-[(2-fluoro-N-methylanilino)methyl]butan-1-ol

2-[(2-fluoro-N-methylanilino)methyl]butan-1-ol (PubChem CID 115250709) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 2-[(2-fluoro-N-methylanilino)methyl]butan-1-ol.

Molecular Properties

Compound Name2-[(2-fluoro-N-methylanilino)methyl]butan-1-ol
PubChem CID115250709
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name2-[(2-fluoro-N-methylanilino)methyl]butan-1-ol
SMILESCCC(CO)CN(C)c1ccccc1F
InChIInChI=1S/C12H18FNO/c1-3-10(9-15)8-14(2)12-7-5-4-6-11(12)13/h4-7,10,15H,3,8-9H2,1-2H3
InChIKeyGQYMFYSRHBZQRU-UHFFFAOYSA-N
XLogP2.28
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,5-difluoro-N-methylanilino)methyl]butan-1-ol
CID 115250646
3-N-(2-fluorophenyl)-3-N-methylpropane-1,2,3-triamine
CID 115119608
2-fluoro-N-methyl-N-propylaniline
CID 67818828
2-[(N-methyl-4-methylsulfanylanilino)methyl]butan-1-ol
CID 115250682
3-(N-ethyl-2-fluoroanilino)propane-1,2-diol
CID 82849393
2-(aminomethyl)-N-(2-ethylbutyl)-N-methylaniline
CID 82925975
N-(3-bromo-2-phenylpropyl)-2-fluoro-N-methylaniline
CID 65015357
2-amino-N-(2-fluorophenyl)-3-hydroxy-N-methylpropanamide
CID 115179779
2-(2-fluoro-N-methylanilino)-1-(4-methylsulfonylphenyl)ethanol
CID 110924112
3-(2-fluoro-N-methylanilino)-1-(2-fluorophenyl)propan-1-ol
CID 62629313
(2-fluorophenyl)-(1-hydroxypropan-2-yl)carbamic acid
CID 122651775
1-N-(2-fluorophenyl)-3-methoxy-1-N-methyl-2-N-propylpropane-1,2-diamine
CID 107505636

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-N-methylanilino)methyl]butan-1-ol?
The IUPAC name of 2-[(2-fluoro-N-methylanilino)methyl]butan-1-ol (CID 115250709) is 2-[(2-fluoro-N-methylanilino)methyl]butan-1-ol.
What is the SMILES notation for 2-[(2-fluoro-N-methylanilino)methyl]butan-1-ol?
The canonical SMILES for 2-[(2-fluoro-N-methylanilino)methyl]butan-1-ol is CCC(CO)CN(C)c1ccccc1F.
What is the InChIKey of 2-[(2-fluoro-N-methylanilino)methyl]butan-1-ol?
The InChIKey is GQYMFYSRHBZQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-3-10(9-15)8-14(2)12-7-5-4-6-11(12)13/h4-7,10,15H,3,8-9H2,1-2H3.
What are the key properties of 2-[(2-fluoro-N-methylanilino)methyl]butan-1-ol?
2-[(2-fluoro-N-methylanilino)methyl]butan-1-ol has a molecular weight of 211.28 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-N-methylanilino)methyl]butan-1-ol is sourced from PubChem (CID 115250709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).