3-[(2-fluoro-4-methoxyphenyl)methylamino]pentan-1-ol

C13H20FNO2 — CID 102876674

IUPAC3-[(2-fluoro-4-methoxyphenyl)methylamino]pentan-1-ol
SMILESCCC(CCO)NCc1ccc(OC)cc1F
InChIInChI=1S/C13H20FNO2/c1-3-11(6-7-16)15-9-10-4-5-12(17-2)8-13(10)14/h4-5,8,11,15-16H,3,6-7,9H2,1-2H3
InChIKeyYNJGZRIYXWWZJK-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.08
Rot. Bonds7

About 3-[(2-fluoro-4-methoxyphenyl)methylamino]pentan-1-ol

3-[(2-fluoro-4-methoxyphenyl)methylamino]pentan-1-ol (PubChem CID 102876674) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is 3-[(2-fluoro-4-methoxyphenyl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name3-[(2-fluoro-4-methoxyphenyl)methylamino]pentan-1-ol
PubChem CID102876674
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name3-[(2-fluoro-4-methoxyphenyl)methylamino]pentan-1-ol
SMILESCCC(CCO)NCc1ccc(OC)cc1F
InChIInChI=1S/C13H20FNO2/c1-3-11(6-7-16)15-9-10-4-5-12(17-2)8-13(10)14/h4-5,8,11,15-16H,3,6-7,9H2,1-2H3
InChIKeyYNJGZRIYXWWZJK-UHFFFAOYSA-N
XLogP2.08
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,5-dimethoxyphenyl)methylamino]pentan-1-ol
CID 111449137
4-[(2-fluoro-4-methoxyphenyl)methylamino]pentan-1-ol
CID 113357039
3-[(4-methoxyphenyl)methylamino]pentan-1-ol
CID 111449217
3-[(5-bromo-2-fluorophenyl)methylamino]pentan-1-ol
CID 111449155
2-[(hexan-3-ylamino)methyl]-4-methoxyphenol
CID 62118733
1-chloro-N-[(2-fluoro-4-methoxyphenyl)methyl]-4-methylpentan-3-amine
CID 114177538
3-[(2-fluoro-4-methoxyphenyl)methylamino]-2-methylsulfanylbutan-1-ol
CID 106160629
4-methoxy-2-[(pentan-3-ylamino)methyl]phenol
CID 28611091
N-[(4-chloro-2-fluorophenyl)methyl]hexan-3-amine
CID 114842256
(1R)-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-phenylethanamine
CID 96930071
2-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 102876592
(2S)-2-[(4-bromo-2-fluorophenyl)methylamino]butan-1-ol
CID 51863621

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoro-4-methoxyphenyl)methylamino]pentan-1-ol?
The IUPAC name of 3-[(2-fluoro-4-methoxyphenyl)methylamino]pentan-1-ol (CID 102876674) is 3-[(2-fluoro-4-methoxyphenyl)methylamino]pentan-1-ol.
What is the SMILES notation for 3-[(2-fluoro-4-methoxyphenyl)methylamino]pentan-1-ol?
The canonical SMILES for 3-[(2-fluoro-4-methoxyphenyl)methylamino]pentan-1-ol is CCC(CCO)NCc1ccc(OC)cc1F.
What is the InChIKey of 3-[(2-fluoro-4-methoxyphenyl)methylamino]pentan-1-ol?
The InChIKey is YNJGZRIYXWWZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-3-11(6-7-16)15-9-10-4-5-12(17-2)8-13(10)14/h4-5,8,11,15-16H,3,6-7,9H2,1-2H3.
What are the key properties of 3-[(2-fluoro-4-methoxyphenyl)methylamino]pentan-1-ol?
3-[(2-fluoro-4-methoxyphenyl)methylamino]pentan-1-ol has a molecular weight of 241.31 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluoro-4-methoxyphenyl)methylamino]pentan-1-ol is sourced from PubChem (CID 102876674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).