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

C13H20FNO2 — CID 113357039

IUPAC4-[(2-fluoro-4-methoxyphenyl)methylamino]pentan-1-ol
SMILESCOc1ccc(CNC(C)CCCO)c(F)c1
InChIInChI=1S/C13H20FNO2/c1-10(4-3-7-16)15-9-11-5-6-12(17-2)8-13(11)14/h5-6,8,10,15-16H,3-4,7,9H2,1-2H3
InChIKeyPUPLBUYSFJZRRL-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.08
Rot. Bonds7

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

4-[(2-fluoro-4-methoxyphenyl)methylamino]pentan-1-ol (PubChem CID 113357039) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is 4-[(2-fluoro-4-methoxyphenyl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name4-[(2-fluoro-4-methoxyphenyl)methylamino]pentan-1-ol
PubChem CID113357039
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name4-[(2-fluoro-4-methoxyphenyl)methylamino]pentan-1-ol
SMILESCOc1ccc(CNC(C)CCCO)c(F)c1
InChIInChI=1S/C13H20FNO2/c1-10(4-3-7-16)15-9-11-5-6-12(17-2)8-13(11)14/h5-6,8,10,15-16H,3-4,7,9H2,1-2H3
InChIKeyPUPLBUYSFJZRRL-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

Analyze 4-[(2-fluoro-4-methoxyphenyl)methylamino]pentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-fluoro-4-methoxyphenyl)methyl]-4-phenylbutan-2-amine
CID 103757279
3-[(2-fluoro-4-methoxyphenyl)methylamino]pentan-1-ol
CID 102876674
2-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 102876592
2-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-N-(2-methylpropyl)propane-1,2-diamine
CID 102883068
1-chloro-N-[(2-fluoro-4-methoxyphenyl)methyl]-4-methylpentan-3-amine
CID 114177538
(4S)-4-amino-4-(2-fluoro-4-methoxyphenyl)butan-1-ol
CID 171219632
3-[(2-fluoro-4-methoxyphenyl)methylamino]-2-methylsulfanylbutan-1-ol
CID 106160629
(1R)-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-phenylethanamine
CID 96930071
N-[(2-fluoro-4-methoxyphenyl)methyl]-7-methyloctan-1-amine
CID 107814945
(2S)-N-[(2,5-dimethoxyphenyl)methyl]heptan-2-amine
CID 93035260
5-[(2-fluoro-4-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 106147039
(2S)-1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol
CID 103906609

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-4-methoxyphenyl)methylamino]pentan-1-ol?
The IUPAC name of 4-[(2-fluoro-4-methoxyphenyl)methylamino]pentan-1-ol (CID 113357039) is 4-[(2-fluoro-4-methoxyphenyl)methylamino]pentan-1-ol.
What is the SMILES notation for 4-[(2-fluoro-4-methoxyphenyl)methylamino]pentan-1-ol?
The canonical SMILES for 4-[(2-fluoro-4-methoxyphenyl)methylamino]pentan-1-ol is COc1ccc(CNC(C)CCCO)c(F)c1.
What is the InChIKey of 4-[(2-fluoro-4-methoxyphenyl)methylamino]pentan-1-ol?
The InChIKey is PUPLBUYSFJZRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-10(4-3-7-16)15-9-11-5-6-12(17-2)8-13(11)14/h5-6,8,10,15-16H,3-4,7,9H2,1-2H3.
What are the key properties of 4-[(2-fluoro-4-methoxyphenyl)methylamino]pentan-1-ol?
4-[(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 4-[(2-fluoro-4-methoxyphenyl)methylamino]pentan-1-ol is sourced from PubChem (CID 113357039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).