2-[[[2-(3-fluorophenyl)-2-methylpropyl]amino]methyl]-3-methylbutan-1-ol

C16H26FNO — CID 115252294

IUPAC2-[[[2-(3-fluorophenyl)-2-methylpropyl]amino]methyl]-3-methylbutan-1-ol
SMILESCC(C)C(CO)CNCC(C)(C)c1cccc(F)c1
InChIInChI=1S/C16H26FNO/c1-12(2)13(10-19)9-18-11-16(3,4)14-6-5-7-15(17)8-14/h5-8,12-13,18-19H,9-11H2,1-4H3
InChIKeyZBXNYQCNVDRJEU-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.96
Rot. Bonds7

About 2-[[[2-(3-fluorophenyl)-2-methylpropyl]amino]methyl]-3-methylbutan-1-ol

2-[[[2-(3-fluorophenyl)-2-methylpropyl]amino]methyl]-3-methylbutan-1-ol (PubChem CID 115252294) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-[[[2-(3-fluorophenyl)-2-methylpropyl]amino]methyl]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[[[2-(3-fluorophenyl)-2-methylpropyl]amino]methyl]-3-methylbutan-1-ol
PubChem CID115252294
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC Name2-[[[2-(3-fluorophenyl)-2-methylpropyl]amino]methyl]-3-methylbutan-1-ol
SMILESCC(C)C(CO)CNCC(C)(C)c1cccc(F)c1
InChIInChI=1S/C16H26FNO/c1-12(2)13(10-19)9-18-11-16(3,4)14-6-5-7-15(17)8-14/h5-8,12-13,18-19H,9-11H2,1-4H3
InChIKeyZBXNYQCNVDRJEU-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(3-fluorophenyl)methylamino]methyl]-3-methylbutan-1-ol
CID 115252092
3-[[2-(3-fluorophenyl)-2-methylpropyl]amino]-2-(methylamino)propanoic acid
CID 115256325
4-[[2-(3-fluorophenyl)-2-methylpropyl]amino]butan-1-ol
CID 115217984
N-[2-(3-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)butanamide
CID 115186794
[2-(3-fluorophenyl)-2-methylpropyl]urea
CID 115168840
N-[2-(3-fluorophenyl)-2-methylpropyl]carbamoyl bromide
CID 115194299
1-[2-(3-fluorophenyl)-2-methylpropyl]-2-methyl-3-propan-2-ylguanidine
CID 111791863
3-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]butanamide
CID 115154464
2-methyl-2-(3-methylphenyl)-N-(2-methylpropyl)propan-1-amine
CID 62595545
N-[2-(3-fluorophenyl)-2-methylpropyl]-2-hydroxy-2-methylpropanamide
CID 115179051
2-(3-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol
CID 62773399
N-[(3-fluorophenyl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 115252833

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(3-fluorophenyl)-2-methylpropyl]amino]methyl]-3-methylbutan-1-ol?
The IUPAC name of 2-[[[2-(3-fluorophenyl)-2-methylpropyl]amino]methyl]-3-methylbutan-1-ol (CID 115252294) is 2-[[[2-(3-fluorophenyl)-2-methylpropyl]amino]methyl]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[[[2-(3-fluorophenyl)-2-methylpropyl]amino]methyl]-3-methylbutan-1-ol?
The canonical SMILES for 2-[[[2-(3-fluorophenyl)-2-methylpropyl]amino]methyl]-3-methylbutan-1-ol is CC(C)C(CO)CNCC(C)(C)c1cccc(F)c1.
What is the InChIKey of 2-[[[2-(3-fluorophenyl)-2-methylpropyl]amino]methyl]-3-methylbutan-1-ol?
The InChIKey is ZBXNYQCNVDRJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-12(2)13(10-19)9-18-11-16(3,4)14-6-5-7-15(17)8-14/h5-8,12-13,18-19H,9-11H2,1-4H3.
What are the key properties of 2-[[[2-(3-fluorophenyl)-2-methylpropyl]amino]methyl]-3-methylbutan-1-ol?
2-[[[2-(3-fluorophenyl)-2-methylpropyl]amino]methyl]-3-methylbutan-1-ol has a molecular weight of 267.39 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(3-fluorophenyl)-2-methylpropyl]amino]methyl]-3-methylbutan-1-ol is sourced from PubChem (CID 115252294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).