2-[(2,4-difluoro-N-methylanilino)methyl]-3-methylbutan-1-ol

C13H19F2NO — CID 115251960

IUPAC2-[(2,4-difluoro-N-methylanilino)methyl]-3-methylbutan-1-ol
SMILESCC(C)C(CO)CN(C)c1ccc(F)cc1F
InChIInChI=1S/C13H19F2NO/c1-9(2)10(8-17)7-16(3)13-5-4-11(14)6-12(13)15/h4-6,9-10,17H,7-8H2,1-3H3
InChIKeyHUJIJNOSXALJDT-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.67
Rot. Bonds5

About 2-[(2,4-difluoro-N-methylanilino)methyl]-3-methylbutan-1-ol

2-[(2,4-difluoro-N-methylanilino)methyl]-3-methylbutan-1-ol (PubChem CID 115251960) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-[(2,4-difluoro-N-methylanilino)methyl]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(2,4-difluoro-N-methylanilino)methyl]-3-methylbutan-1-ol
PubChem CID115251960
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC Name2-[(2,4-difluoro-N-methylanilino)methyl]-3-methylbutan-1-ol
SMILESCC(C)C(CO)CN(C)c1ccc(F)cc1F
InChIInChI=1S/C13H19F2NO/c1-9(2)10(8-17)7-16(3)13-5-4-11(14)6-12(13)15/h4-6,9-10,17H,7-8H2,1-3H3
InChIKeyHUJIJNOSXALJDT-UHFFFAOYSA-N
XLogP2.67
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-difluorophenyl)-N,N'-dimethyl-2-propan-2-ylpropane-1,3-diamine
CID 115252758
2-[[(2,4-difluorophenyl)methyl-methylamino]methyl]-3-methylbutan-1-ol
CID 115252142
2-[[1-benzofuran-3-yl(methyl)amino]methyl]-3-methylbutan-1-ol
CID 115252002
2-[(2-methoxy-N,5-dimethylanilino)methyl]-3-methylbutan-1-ol
CID 115251929
2-[(2,5-difluoro-N-methylanilino)methyl]butan-1-ol
CID 115250646
1-(2,4-difluoro-N-methylanilino)-3-(4-methoxyphenoxy)propan-2-ol
CID 3786729
1-[3-fluoro-4-[methyl(2-methylpropyl)amino]phenyl]ethanol
CID 43506175
(1R)-1-[5-fluoro-2-[methyl(2-methylpropyl)amino]phenyl]ethanol
CID 63370772
N'-(2,4-difluorophenyl)-N,N'-dimethylethane-1,2-diamine
CID 22052023
N-benzyl-2,4-difluoro-N-methylaniline
CID 110454539
2-[(2,5-difluoroanilino)methyl]-3-methylbutan-1-ol
CID 115251833
1-[4-(aminomethyl)-2-fluoro-N-methylanilino]propan-2-ol
CID 62335484

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluoro-N-methylanilino)methyl]-3-methylbutan-1-ol?
The IUPAC name of 2-[(2,4-difluoro-N-methylanilino)methyl]-3-methylbutan-1-ol (CID 115251960) is 2-[(2,4-difluoro-N-methylanilino)methyl]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[(2,4-difluoro-N-methylanilino)methyl]-3-methylbutan-1-ol?
The canonical SMILES for 2-[(2,4-difluoro-N-methylanilino)methyl]-3-methylbutan-1-ol is CC(C)C(CO)CN(C)c1ccc(F)cc1F.
What is the InChIKey of 2-[(2,4-difluoro-N-methylanilino)methyl]-3-methylbutan-1-ol?
The InChIKey is HUJIJNOSXALJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO/c1-9(2)10(8-17)7-16(3)13-5-4-11(14)6-12(13)15/h4-6,9-10,17H,7-8H2,1-3H3.
What are the key properties of 2-[(2,4-difluoro-N-methylanilino)methyl]-3-methylbutan-1-ol?
2-[(2,4-difluoro-N-methylanilino)methyl]-3-methylbutan-1-ol has a molecular weight of 243.30 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluoro-N-methylanilino)methyl]-3-methylbutan-1-ol is sourced from PubChem (CID 115251960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).