2-[[[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]amino]methyl]butan-1-ol

C16H26FNO — CID 115251149

IUPAC2-[[[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]amino]methyl]butan-1-ol
SMILESCCC(CO)CNCC(C)(C)c1ccc(F)c(C)c1
InChIInChI=1S/C16H26FNO/c1-5-13(10-19)9-18-11-16(3,4)14-6-7-15(17)12(2)8-14/h6-8,13,18-19H,5,9-11H2,1-4H3
InChIKeyCOXOMRCFLIYVHC-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.02
Rot. Bonds7

About 2-[[[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]amino]methyl]butan-1-ol

2-[[[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]amino]methyl]butan-1-ol (PubChem CID 115251149) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-[[[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]amino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-[[[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]amino]methyl]butan-1-ol
PubChem CID115251149
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC Name2-[[[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]amino]methyl]butan-1-ol
SMILESCCC(CO)CNCC(C)(C)c1ccc(F)c(C)c1
InChIInChI=1S/C16H26FNO/c1-5-13(10-19)9-18-11-16(3,4)14-6-7-15(17)12(2)8-14/h6-8,13,18-19H,5,9-11H2,1-4H3
InChIKeyCOXOMRCFLIYVHC-UHFFFAOYSA-N
XLogP3.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[[[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]amino]methyl]butan-1-ol with MolForge

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Related Compounds

2-[[[2-(3,4-dimethylphenyl)-2-methylpropyl]amino]methyl]butan-1-ol
CID 115251143
2-[[[2-(4-bromophenyl)-2-methylpropyl]amino]methyl]butan-1-ol
CID 115251147
3-[[2-(3,4-difluorophenyl)-2-methylpropyl]amino]propane-1,2-diol
CID 115122499
N'-[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]-N-methylethane-1,2-diamine
CID 115196149
2-[[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]amino]ethanethiol
CID 115224465
methyl 2-[[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]amino]acetate
CID 115233215
[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]carbamic acid
CID 115171370
1-N-[2-(3,4-difluorophenyl)-2-methylpropyl]propane-1,2-diamine
CID 115197053
3-[[2-(4-chlorophenyl)-2-methylpropyl]amino]propane-1,2-diol
CID 115122482
2-(4-fluoro-3-methylphenyl)propan-2-ol
CID 20785410
(2S)-2-(4-fluoro-3-methylphenyl)butan-2-ol
CID 94601210
(2R)-2-(4-fluoro-3-methylphenyl)butan-2-ol
CID 94601211

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]amino]methyl]butan-1-ol?
The IUPAC name of 2-[[[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]amino]methyl]butan-1-ol (CID 115251149) is 2-[[[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]amino]methyl]butan-1-ol.
What is the SMILES notation for 2-[[[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]amino]methyl]butan-1-ol?
The canonical SMILES for 2-[[[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]amino]methyl]butan-1-ol is CCC(CO)CNCC(C)(C)c1ccc(F)c(C)c1.
What is the InChIKey of 2-[[[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]amino]methyl]butan-1-ol?
The InChIKey is COXOMRCFLIYVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-5-13(10-19)9-18-11-16(3,4)14-6-7-15(17)12(2)8-14/h6-8,13,18-19H,5,9-11H2,1-4H3.
What are the key properties of 2-[[[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]amino]methyl]butan-1-ol?
2-[[[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]amino]methyl]butan-1-ol has a molecular weight of 267.39 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]amino]methyl]butan-1-ol is sourced from PubChem (CID 115251149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).