2-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-methylbutan-1-ol

C14H22FNO — CID 62266717

IUPAC2-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CN(C)Cc1ccc(F)cc1
InChIInChI=1S/C14H22FNO/c1-4-14(2,11-17)10-16(3)9-12-5-7-13(15)8-6-12/h5-8,17H,4,9-11H2,1-3H3
InChIKeyLLMMCJCWQGLWGE-UHFFFAOYSA-N
MW239.33 g/mol
LogP2.67
Rot. Bonds6

About 2-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-methylbutan-1-ol

2-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-methylbutan-1-ol (PubChem CID 62266717) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 2-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-methylbutan-1-ol
PubChem CID62266717
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name2-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CN(C)Cc1ccc(F)cc1
InChIInChI=1S/C14H22FNO/c1-4-14(2,11-17)10-16(3)9-12-5-7-13(15)8-6-12/h5-8,17H,4,9-11H2,1-3H3
InChIKeyLLMMCJCWQGLWGE-UHFFFAOYSA-N
XLogP2.67
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-ethyl-N'-[(4-fluorophenyl)methyl]-N',2-dimethylpropane-1,3-diamine
CID 62271540
2-[[(2,5-difluorophenyl)methyl-methylamino]methyl]-2-methylpropane-1,3-diol
CID 84590802
2-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2-methylbutan-1-ol
CID 55055189
2,2-diethyl-N'-[(4-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 62272643
2-methyl-2-[[methyl-[(4-propan-2-ylsulfanylphenyl)methyl]amino]methyl]propane-1,3-diol
CID 110027589
2-[[2-(4-fluorophenyl)ethylamino]methyl]-2-methylbutan-1-ol
CID 81410771
2-[[(4-fluorophenyl)methyl-methylamino]methyl]butanenitrile
CID 115253889
1-[(4-fluorophenyl)methyl-methylamino]-3,3-dimethylbutan-2-one
CID 60650439
2-[[4-[(dimethylamino)methyl]anilino]methyl]-2-methylbutan-1-ol
CID 81413541
2-[(dimethylamino)methyl]-2-methylbutan-1-ol
CID 62270560
3-[benzyl(methyl)amino]-2,2-dimethylpropan-1-ol
CID 13422168
2-[(4-fluorophenyl)methyl-methylamino]propan-1-ol
CID 112701198

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-methylbutan-1-ol?
The IUPAC name of 2-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-methylbutan-1-ol (CID 62266717) is 2-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-methylbutan-1-ol?
The canonical SMILES for 2-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-methylbutan-1-ol is CCC(C)(CO)CN(C)Cc1ccc(F)cc1.
What is the InChIKey of 2-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-methylbutan-1-ol?
The InChIKey is LLMMCJCWQGLWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-4-14(2,11-17)10-16(3)9-12-5-7-13(15)8-6-12/h5-8,17H,4,9-11H2,1-3H3.
What are the key properties of 2-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-methylbutan-1-ol?
2-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-methylbutan-1-ol has a molecular weight of 239.33 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-methylbutan-1-ol is sourced from PubChem (CID 62266717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).