5-[(2-fluoro-4-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol

C15H24FNO2 — CID 106147039

IUPAC5-[(2-fluoro-4-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
SMILESCOc1ccc(CNCC(C)(C)CCCO)c(F)c1
InChIInChI=1S/C15H24FNO2/c1-15(2,7-4-8-18)11-17-10-12-5-6-13(19-3)9-14(12)16/h5-6,9,17-18H,4,7-8,10-11H2,1-3H3
InChIKeyNNVHZYZOPUMZIW-UHFFFAOYSA-N
MW269.36 g/mol
LogP2.72
Rot. Bonds8

About 5-[(2-fluoro-4-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol

5-[(2-fluoro-4-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol (PubChem CID 106147039) has the molecular formula C15H24FNO2 and a molecular weight of 269.36 g/mol. Its IUPAC name is 5-[(2-fluoro-4-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-[(2-fluoro-4-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
PubChem CID106147039
Molecular FormulaC15H24FNO2
Molecular Weight269.36 g/mol
Exact Mass269.18
IUPAC Name5-[(2-fluoro-4-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
SMILESCOc1ccc(CNCC(C)(C)CCCO)c(F)c1
InChIInChI=1S/C15H24FNO2/c1-15(2,7-4-8-18)11-17-10-12-5-6-13(19-3)9-14(12)16/h5-6,9,17-18H,4,7-8,10-11H2,1-3H3
InChIKeyNNVHZYZOPUMZIW-UHFFFAOYSA-N
XLogP2.72
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-fluoro-4-methoxyphenyl)methylamino]-2,2-dimethylpropan-1-ol
CID 102876575
5-[(2,5-dimethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897564
1-[(2-fluoro-4-methoxyphenyl)methylamino]-4-methoxy-2-methylbutan-2-ol
CID 106254304
5-[(3-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897679
5-[(3-fluoro-4-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897619
N-[(2-fluoro-4-methoxyphenyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 103816354
4-[(2-fluoro-4-methoxyphenyl)methylamino]pentan-1-ol
CID 113357039
N-[(2-fluoro-4-methoxyphenyl)methyl]butan-1-amine
CID 68574125
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 104625291
3-fluoro-4-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]benzonitrile
CID 113278201
2,6-difluoro-4-[[(5-hydroxy-2,2-dimethylpentyl)amino]methyl]phenol
CID 103897773
2-[(4-hydroxybutylamino)methyl]-5-methoxyphenol
CID 106840604

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluoro-4-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-[(2-fluoro-4-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol (CID 106147039) is 5-[(2-fluoro-4-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-[(2-fluoro-4-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-[(2-fluoro-4-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol is COc1ccc(CNCC(C)(C)CCCO)c(F)c1.
What is the InChIKey of 5-[(2-fluoro-4-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol?
The InChIKey is NNVHZYZOPUMZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO2/c1-15(2,7-4-8-18)11-17-10-12-5-6-13(19-3)9-14(12)16/h5-6,9,17-18H,4,7-8,10-11H2,1-3H3.
What are the key properties of 5-[(2-fluoro-4-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol?
5-[(2-fluoro-4-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol has a molecular weight of 269.36 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluoro-4-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106147039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).