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

C13H20FNO2 — CID 115703077

IUPAC1-[(3-fluoro-4-methoxyphenyl)methylamino]pentan-3-ol
SMILESCCC(O)CCNCc1ccc(OC)c(F)c1
InChIInChI=1S/C13H20FNO2/c1-3-11(16)6-7-15-9-10-4-5-13(17-2)12(14)8-10/h4-5,8,11,15-16H,3,6-7,9H2,1-2H3
InChIKeyGXCAMTMSZRPFBM-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.08
Rot. Bonds7

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

1-[(3-fluoro-4-methoxyphenyl)methylamino]pentan-3-ol (PubChem CID 115703077) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is 1-[(3-fluoro-4-methoxyphenyl)methylamino]pentan-3-ol.

Molecular Properties

Compound Name1-[(3-fluoro-4-methoxyphenyl)methylamino]pentan-3-ol
PubChem CID115703077
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name1-[(3-fluoro-4-methoxyphenyl)methylamino]pentan-3-ol
SMILESCCC(O)CCNCc1ccc(OC)c(F)c1
InChIInChI=1S/C13H20FNO2/c1-3-11(16)6-7-15-9-10-4-5-13(17-2)12(14)8-10/h4-5,8,11,15-16H,3,6-7,9H2,1-2H3
InChIKeyGXCAMTMSZRPFBM-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(3-fluoro-4-methoxyphenyl)methylamino]-2-methylbutanoic acid
CID 115220712
N-[(3-fluoro-4-methoxyphenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405486
4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]pentan-1-amine
CID 106121926
N',N'-diethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]propane-1,3-diamine
CID 43235528
4-[[(3-hydroxy-4-methoxybutyl)amino]methyl]-2-methoxyphenol
CID 103953827
1-[(3,4-dimethoxyphenyl)methylamino]butan-2-ol
CID 60886428
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylsulfinylethanamine
CID 115632650
4-[(3-bromo-4-fluorophenyl)methylamino]-1-methoxybutan-2-ol
CID 103876406
2-[[(3-fluoro-4-methoxyphenyl)methylamino]methyl]butanenitrile
CID 115253760
2-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]butanamide
CID 110779959
N-[(3-fluoro-4-methoxyphenyl)methyl]-2,2-dimethylpropan-1-amine
CID 61166828
N-[[3-fluoro-4-(2-methoxyphenoxy)phenyl]methyl]propan-1-amine
CID 43283304

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-4-methoxyphenyl)methylamino]pentan-3-ol?
The IUPAC name of 1-[(3-fluoro-4-methoxyphenyl)methylamino]pentan-3-ol (CID 115703077) is 1-[(3-fluoro-4-methoxyphenyl)methylamino]pentan-3-ol.
What is the SMILES notation for 1-[(3-fluoro-4-methoxyphenyl)methylamino]pentan-3-ol?
The canonical SMILES for 1-[(3-fluoro-4-methoxyphenyl)methylamino]pentan-3-ol is CCC(O)CCNCc1ccc(OC)c(F)c1.
What is the InChIKey of 1-[(3-fluoro-4-methoxyphenyl)methylamino]pentan-3-ol?
The InChIKey is GXCAMTMSZRPFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-3-11(16)6-7-15-9-10-4-5-13(17-2)12(14)8-10/h4-5,8,11,15-16H,3,6-7,9H2,1-2H3.
What are the key properties of 1-[(3-fluoro-4-methoxyphenyl)methylamino]pentan-3-ol?
1-[(3-fluoro-4-methoxyphenyl)methylamino]pentan-3-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 1-[(3-fluoro-4-methoxyphenyl)methylamino]pentan-3-ol is sourced from PubChem (CID 115703077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).