5-[(3-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol

C14H22FNO — CID 103897825

IUPAC5-[(3-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CNCc1cccc(F)c1
InChIInChI=1S/C14H22FNO/c1-14(2,7-4-8-17)11-16-10-12-5-3-6-13(15)9-12/h3,5-6,9,16-17H,4,7-8,10-11H2,1-2H3
InChIKeyUIGLTIQKBCRQTN-UHFFFAOYSA-N
MW239.33 g/mol
LogP2.71
Rot. Bonds7

About 5-[(3-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol

5-[(3-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol (PubChem CID 103897825) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-[(3-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol
PubChem CID103897825
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name5-[(3-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CNCc1cccc(F)c1
InChIInChI=1S/C14H22FNO/c1-14(2,7-4-8-17)11-16-10-12-5-3-6-13(15)9-12/h3,5-6,9,16-17H,4,7-8,10-11H2,1-2H3
InChIKeyUIGLTIQKBCRQTN-UHFFFAOYSA-N
XLogP2.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[(3-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine
CID 115363424
5-[(3-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897679
2-(3-fluorophenyl)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
CID 103899330
5-[(3-fluoro-4-methylphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897533
3-[(3-fluorophenyl)methylamino]propan-1-ol
CID 28714303
2,6-difluoro-4-[[(5-hydroxy-2,2-dimethylpentyl)amino]methyl]phenol
CID 103897773
5-[(3-fluoro-4-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897619
2-ethoxy-N-[(3-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 114940815
4,4-dimethyl-5-[(4-methylphenyl)methylamino]pentan-1-ol
CID 103897567
5-[(4-bromo-3-methylphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897720
4,4-dimethyl-5-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]pentan-1-ol
CID 103897735
2-[(3-fluorophenyl)methylamino]ethanol
CID 10866749

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-[(3-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol (CID 103897825) is 5-[(3-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-[(3-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-[(3-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol is CC(C)(CCCO)CNCc1cccc(F)c1.
What is the InChIKey of 5-[(3-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol?
The InChIKey is UIGLTIQKBCRQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-14(2,7-4-8-17)11-16-10-12-5-3-6-13(15)9-12/h3,5-6,9,16-17H,4,7-8,10-11H2,1-2H3.
What are the key properties of 5-[(3-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol?
5-[(3-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol has a molecular weight of 239.33 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 103897825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).