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

C14H21F2NO — CID 115252142

IUPAC2-[[(2,4-difluorophenyl)methyl-methylamino]methyl]-3-methylbutan-1-ol
SMILESCC(C)C(CO)CN(C)Cc1ccc(F)cc1F
InChIInChI=1S/C14H21F2NO/c1-10(2)12(9-18)8-17(3)7-11-4-5-13(15)6-14(11)16/h4-6,10,12,18H,7-9H2,1-3H3
InChIKeyXSDWQSQQFZZGGZ-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.66
Rot. Bonds6

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

2-[[(2,4-difluorophenyl)methyl-methylamino]methyl]-3-methylbutan-1-ol (PubChem CID 115252142) has the molecular formula C14H21F2NO and a molecular weight of 257.32 g/mol. Its IUPAC name is 2-[[(2,4-difluorophenyl)methyl-methylamino]methyl]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[[(2,4-difluorophenyl)methyl-methylamino]methyl]-3-methylbutan-1-ol
PubChem CID115252142
Molecular FormulaC14H21F2NO
Molecular Weight257.32 g/mol
Exact Mass257.16
IUPAC Name2-[[(2,4-difluorophenyl)methyl-methylamino]methyl]-3-methylbutan-1-ol
SMILESCC(C)C(CO)CN(C)Cc1ccc(F)cc1F
InChIInChI=1S/C14H21F2NO/c1-10(2)12(9-18)8-17(3)7-11-4-5-13(15)6-14(11)16/h4-6,10,12,18H,7-9H2,1-3H3
InChIKeyXSDWQSQQFZZGGZ-UHFFFAOYSA-N
XLogP2.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2,4-difluorophenyl)methyl-methylamino]-2-methylpropanoic acid
CID 62197976
[(2,4-difluorophenyl)methyl-methylamino]methanol
CID 115229150
2-[(2,4-difluoro-N-methylanilino)methyl]-3-methylbutan-1-ol
CID 115251960
1-cyclopropyl-2-[(2,4-difluorophenyl)methyl-methylamino]ethanol
CID 111977227
3-N-[(2,4-difluorophenyl)methyl]-3-N-methylpropane-1,2,3-triamine
CID 115119850
2-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]-3-methylbutan-1-ol
CID 115252120
1-N-[(2,4-difluorophenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine
CID 81490420
3-amino-4-[(2,4-difluorophenyl)methyl-methylamino]butanoic acid
CID 115241759
1-(2,4-difluorophenyl)-N'-[(2-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 107519950
1-[(2,4-difluorophenyl)methyl-methylamino]-3-(4-methylphenoxy)propan-2-ol
CID 134001793
1-[(2-chloro-5-fluorophenyl)methyl-methylamino]propan-2-ol
CID 102609429
2-bromo-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide
CID 107904260

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,4-difluorophenyl)methyl-methylamino]methyl]-3-methylbutan-1-ol?
The IUPAC name of 2-[[(2,4-difluorophenyl)methyl-methylamino]methyl]-3-methylbutan-1-ol (CID 115252142) is 2-[[(2,4-difluorophenyl)methyl-methylamino]methyl]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[[(2,4-difluorophenyl)methyl-methylamino]methyl]-3-methylbutan-1-ol?
The canonical SMILES for 2-[[(2,4-difluorophenyl)methyl-methylamino]methyl]-3-methylbutan-1-ol is CC(C)C(CO)CN(C)Cc1ccc(F)cc1F.
What is the InChIKey of 2-[[(2,4-difluorophenyl)methyl-methylamino]methyl]-3-methylbutan-1-ol?
The InChIKey is XSDWQSQQFZZGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO/c1-10(2)12(9-18)8-17(3)7-11-4-5-13(15)6-14(11)16/h4-6,10,12,18H,7-9H2,1-3H3.
What are the key properties of 2-[[(2,4-difluorophenyl)methyl-methylamino]methyl]-3-methylbutan-1-ol?
2-[[(2,4-difluorophenyl)methyl-methylamino]methyl]-3-methylbutan-1-ol has a molecular weight of 257.32 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,4-difluorophenyl)methyl-methylamino]methyl]-3-methylbutan-1-ol is sourced from PubChem (CID 115252142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).