3-[(4-fluoro-3,5-dimethylphenyl)methylamino]-2,2-dimethylpropan-1-ol

C14H22FNO — CID 81411774

IUPAC3-[(4-fluoro-3,5-dimethylphenyl)methylamino]-2,2-dimethylpropan-1-ol
SMILESCc1cc(CNCC(C)(C)CO)cc(C)c1F
InChIInChI=1S/C14H22FNO/c1-10-5-12(6-11(2)13(10)15)7-16-8-14(3,4)9-17/h5-6,16-17H,7-9H2,1-4H3
InChIKeyYFPUHKVOJGQKSF-UHFFFAOYSA-N
MW239.33 g/mol
LogP2.55
Rot. Bonds5

About 3-[(4-fluoro-3,5-dimethylphenyl)methylamino]-2,2-dimethylpropan-1-ol

3-[(4-fluoro-3,5-dimethylphenyl)methylamino]-2,2-dimethylpropan-1-ol (PubChem CID 81411774) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 3-[(4-fluoro-3,5-dimethylphenyl)methylamino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[(4-fluoro-3,5-dimethylphenyl)methylamino]-2,2-dimethylpropan-1-ol
PubChem CID81411774
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name3-[(4-fluoro-3,5-dimethylphenyl)methylamino]-2,2-dimethylpropan-1-ol
SMILESCc1cc(CNCC(C)(C)CO)cc(C)c1F
InChIInChI=1S/C14H22FNO/c1-10-5-12(6-11(2)13(10)15)7-16-8-14(3,4)9-17/h5-6,16-17H,7-9H2,1-4H3
InChIKeyYFPUHKVOJGQKSF-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluoro-3,5-dimethylphenyl)methylamino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[(4-fluoro-3,5-dimethylphenyl)methylamino]-2,2-dimethylpropan-1-ol (CID 81411774) is 3-[(4-fluoro-3,5-dimethylphenyl)methylamino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[(4-fluoro-3,5-dimethylphenyl)methylamino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[(4-fluoro-3,5-dimethylphenyl)methylamino]-2,2-dimethylpropan-1-ol is Cc1cc(CNCC(C)(C)CO)cc(C)c1F.
What is the InChIKey of 3-[(4-fluoro-3,5-dimethylphenyl)methylamino]-2,2-dimethylpropan-1-ol?
The InChIKey is YFPUHKVOJGQKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-10-5-12(6-11(2)13(10)15)7-16-8-14(3,4)9-17/h5-6,16-17H,7-9H2,1-4H3.
What are the key properties of 3-[(4-fluoro-3,5-dimethylphenyl)methylamino]-2,2-dimethylpropan-1-ol?
3-[(4-fluoro-3,5-dimethylphenyl)methylamino]-2,2-dimethylpropan-1-ol has a molecular weight of 239.33 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluoro-3,5-dimethylphenyl)methylamino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 81411774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).