2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-2-methylpropan-1-ol

C14H22FNO — CID 115133734

IUPAC2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-2-methylpropan-1-ol
SMILESCC(C)(CO)NCC(C)(C)c1ccc(F)cc1
InChIInChI=1S/C14H22FNO/c1-13(2,9-16-14(3,4)10-17)11-5-7-12(15)8-6-11/h5-8,16-17H,9-10H2,1-4H3
InChIKeyFWGDXFOVHLXXCH-UHFFFAOYSA-N
MW239.33 g/mol
LogP2.46
Rot. Bonds5

About 2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-2-methylpropan-1-ol

2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-2-methylpropan-1-ol (PubChem CID 115133734) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-2-methylpropan-1-ol
PubChem CID115133734
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-2-methylpropan-1-ol
SMILESCC(C)(CO)NCC(C)(C)c1ccc(F)cc1
InChIInChI=1S/C14H22FNO/c1-13(2,9-16-14(3,4)10-17)11-5-7-12(15)8-6-11/h5-8,16-17H,9-10H2,1-4H3
InChIKeyFWGDXFOVHLXXCH-UHFFFAOYSA-N
XLogP2.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-fluorophenyl)-2-methylpropyl]-4-hydroxybutanamide
CID 115163181
2-[(2,2-difluoro-2-phenylethyl)amino]-2-methylpropan-1-ol
CID 116788835
methyl 2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-2-oxoacetate
CID 115142658
N-[2-(4-fluorophenyl)-2-methylpropyl]-2-(hydroxymethyl)butanamide
CID 115186785
N-[2-(4-fluorophenyl)-2-methylpropyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
CID 115182483
methyl 3-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-3-oxopropanoate
CID 115174546
2-methyl-2-[[2-methyl-2-(5-methylfuran-2-yl)propyl]amino]propan-1-ol
CID 115133777
2-N-[2-(4-chlorophenyl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115133060
3-[[2-(4-fluorophenyl)-2-methylpropyl]carbamoylamino]propanoic acid
CID 122000714
1-[2-(4-fluorophenyl)-2-methylpropyl]-2-methyl-3-propan-2-ylguanidine
CID 111125676
1-cyclopentyl-3-[2-(4-fluorophenyl)-2-methylpropyl]-2-methylguanidine
CID 110992281
1-N-[2-(4-fluorophenyl)-2-methylpropyl]-4-methylpentane-1,4-diamine
CID 115205521

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-2-methylpropan-1-ol (CID 115133734) is 2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-2-methylpropan-1-ol is CC(C)(CO)NCC(C)(C)c1ccc(F)cc1.
What is the InChIKey of 2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-2-methylpropan-1-ol?
The InChIKey is FWGDXFOVHLXXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-13(2,9-16-14(3,4)10-17)11-5-7-12(15)8-6-11/h5-8,16-17H,9-10H2,1-4H3.
What are the key properties of 2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-2-methylpropan-1-ol?
2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-2-methylpropan-1-ol has a molecular weight of 239.33 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-2-methylpropan-1-ol is sourced from PubChem (CID 115133734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).