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

C14H22FNO — CID 103949872

IUPAC3-[(4-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)C(CCO)NCc1ccc(F)cc1
InChIInChI=1S/C14H22FNO/c1-14(2,3)13(8-9-17)16-10-11-4-6-12(15)7-5-11/h4-7,13,16-17H,8-10H2,1-3H3
InChIKeyRVIHWMVDUSVJLI-UHFFFAOYSA-N
MW239.33 g/mol
LogP2.71
Rot. Bonds5

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

3-[(4-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol (PubChem CID 103949872) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol
PubChem CID103949872
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name3-[(4-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)C(CCO)NCc1ccc(F)cc1
InChIInChI=1S/C14H22FNO/c1-14(2,3)13(8-9-17)16-10-11-4-6-12(15)7-5-11/h4-7,13,16-17H,8-10H2,1-3H3
InChIKeyRVIHWMVDUSVJLI-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(benzylamino)-4,4-dimethylpentan-1-ol
CID 103949930
3-[(3-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103949846
3-[(4-fluorophenyl)methylamino]-4-methylpentan-1-ol
CID 111469148
1-[(4-fluorophenyl)methyl]-3-(1-hydroxy-4,4-dimethylpentan-3-yl)urea
CID 47815623
4-fluoro-2-[[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]methyl]phenol
CID 114176827
4,4-dimethyl-3-[(6-methyl-3-pyridinyl)methylamino]pentan-1-ol
CID 114176802
[4-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]phenyl]methanol
CID 110009379
4,4-dimethyl-3-[(3-methylphenyl)methylamino]pentan-1-ol
CID 103949947
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylamino)-4,4-dimethylpentan-1-ol
CID 106348863
3-(isoquinolin-6-ylmethylamino)-4,4-dimethylpentan-1-ol
CID 106349273
3-[(4-bromo-2-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103949915
3-[(3-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 113357124

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-[(4-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol (CID 103949872) is 3-[(4-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-[(4-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-[(4-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol is CC(C)(C)C(CCO)NCc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol?
The InChIKey is RVIHWMVDUSVJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-14(2,3)13(8-9-17)16-10-11-4-6-12(15)7-5-11/h4-7,13,16-17H,8-10H2,1-3H3.
What are the key properties of 3-[(4-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol?
3-[(4-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol has a molecular weight of 239.33 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methylamino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 103949872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).