2-[[(3,4-difluorophenyl)methyl-methylamino]methyl]butan-1-ol

C13H19F2NO — CID 115250906

IUPAC2-[[(3,4-difluorophenyl)methyl-methylamino]methyl]butan-1-ol
SMILESCCC(CO)CN(C)Cc1ccc(F)c(F)c1
InChIInChI=1S/C13H19F2NO/c1-3-10(9-17)7-16(2)8-11-4-5-12(14)13(15)6-11/h4-6,10,17H,3,7-9H2,1-2H3
InChIKeyOTYFJNNLJRRJSD-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.42
Rot. Bonds6

About 2-[[(3,4-difluorophenyl)methyl-methylamino]methyl]butan-1-ol

2-[[(3,4-difluorophenyl)methyl-methylamino]methyl]butan-1-ol (PubChem CID 115250906) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-[[(3,4-difluorophenyl)methyl-methylamino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-[[(3,4-difluorophenyl)methyl-methylamino]methyl]butan-1-ol
PubChem CID115250906
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC Name2-[[(3,4-difluorophenyl)methyl-methylamino]methyl]butan-1-ol
SMILESCCC(CO)CN(C)Cc1ccc(F)c(F)c1
InChIInChI=1S/C13H19F2NO/c1-3-10(9-17)7-16(2)8-11-4-5-12(14)13(15)6-11/h4-6,10,17H,3,7-9H2,1-2H3
InChIKeyOTYFJNNLJRRJSD-UHFFFAOYSA-N
XLogP2.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]butan-1-ol
CID 115250928
2-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]butan-1-ol
CID 115250941
2-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]butan-1-ol
CID 115250884
2-[[(4-tert-butylphenyl)methyl-methylamino]methyl]butan-1-ol
CID 115250873
2-[[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methyl]butan-1-ol
CID 115250940
3-[(3,4-difluorophenyl)methyl-methylamino]-2-methylpropanethioamide
CID 82918323
2-[(2,5-difluoro-N-methylanilino)methyl]butan-1-ol
CID 115250646
2-[[methyl-[(2-methyl-3H-benzimidazol-5-yl)methyl]amino]methyl]butan-1-ol
CID 115250935
2-[[2-(3-fluorophenyl)ethyl-methylamino]methyl]butan-1-ol
CID 115251116
2-[(3,4-difluorophenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115137602
1-[(3,4-difluorophenyl)methyl-methylamino]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 111105875
2-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylethanamine
CID 82925317

Frequently Asked Questions

What is the IUPAC name of 2-[[(3,4-difluorophenyl)methyl-methylamino]methyl]butan-1-ol?
The IUPAC name of 2-[[(3,4-difluorophenyl)methyl-methylamino]methyl]butan-1-ol (CID 115250906) is 2-[[(3,4-difluorophenyl)methyl-methylamino]methyl]butan-1-ol.
What is the SMILES notation for 2-[[(3,4-difluorophenyl)methyl-methylamino]methyl]butan-1-ol?
The canonical SMILES for 2-[[(3,4-difluorophenyl)methyl-methylamino]methyl]butan-1-ol is CCC(CO)CN(C)Cc1ccc(F)c(F)c1.
What is the InChIKey of 2-[[(3,4-difluorophenyl)methyl-methylamino]methyl]butan-1-ol?
The InChIKey is OTYFJNNLJRRJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO/c1-3-10(9-17)7-16(2)8-11-4-5-12(14)13(15)6-11/h4-6,10,17H,3,7-9H2,1-2H3.
What are the key properties of 2-[[(3,4-difluorophenyl)methyl-methylamino]methyl]butan-1-ol?
2-[[(3,4-difluorophenyl)methyl-methylamino]methyl]butan-1-ol has a molecular weight of 243.30 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3,4-difluorophenyl)methyl-methylamino]methyl]butan-1-ol is sourced from PubChem (CID 115250906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).