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

C13H20FNO3 — CID 114163606

IUPAC4-[(2-fluoro-3-methoxyphenyl)methylamino]-1-methoxybutan-2-ol
SMILESCOCC(O)CCNCc1cccc(OC)c1F
InChIInChI=1S/C13H20FNO3/c1-17-9-11(16)6-7-15-8-10-4-3-5-12(18-2)13(10)14/h3-5,11,15-16H,6-9H2,1-2H3
InChIKeyZNGZMRXLWSQUQN-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.32
Rot. Bonds8

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

4-[(2-fluoro-3-methoxyphenyl)methylamino]-1-methoxybutan-2-ol (PubChem CID 114163606) has the molecular formula C13H20FNO3 and a molecular weight of 257.30 g/mol. Its IUPAC name is 4-[(2-fluoro-3-methoxyphenyl)methylamino]-1-methoxybutan-2-ol.

Molecular Properties

Compound Name4-[(2-fluoro-3-methoxyphenyl)methylamino]-1-methoxybutan-2-ol
PubChem CID114163606
Molecular FormulaC13H20FNO3
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name4-[(2-fluoro-3-methoxyphenyl)methylamino]-1-methoxybutan-2-ol
SMILESCOCC(O)CCNCc1cccc(OC)c1F
InChIInChI=1S/C13H20FNO3/c1-17-9-11(16)6-7-15-8-10-4-3-5-12(18-2)13(10)14/h3-5,11,15-16H,6-9H2,1-2H3
InChIKeyZNGZMRXLWSQUQN-UHFFFAOYSA-N
XLogP1.32
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-chloro-2-fluorophenyl)methylamino]-1-methoxybutan-2-ol
CID 103876397
N-[(2-fluoro-3-methoxyphenyl)methyl]-3-methoxy-2-methylpropan-1-amine
CID 104791736
1-[(2-methoxyphenyl)methylamino]pentan-3-ol
CID 115703090
N-[(2-fluoro-3-methoxyphenyl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 104791785
1-methoxy-4-[(2,4,5-trifluorophenyl)methylamino]butan-2-ol
CID 103876226
N-[(2-fluoro-3-methoxyphenyl)methyl]-N',N'-dimethylbutane-1,4-diamine
CID 113453546
3-[(2-fluoro-3-methoxyphenyl)methylamino]-N-methylpropanamide
CID 104791725
5-[(2-fluoro-3-methoxyphenyl)methylamino]pentanamide
CID 114162271
1-[(2-fluoro-3-methoxyphenyl)methylamino]-2-methylpropan-2-ol
CID 104791866
4-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-1-methoxybutan-2-ol
CID 106246755
1-(2-fluoro-3-methoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 104791604
N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 104791777

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-3-methoxyphenyl)methylamino]-1-methoxybutan-2-ol?
The IUPAC name of 4-[(2-fluoro-3-methoxyphenyl)methylamino]-1-methoxybutan-2-ol (CID 114163606) is 4-[(2-fluoro-3-methoxyphenyl)methylamino]-1-methoxybutan-2-ol.
What is the SMILES notation for 4-[(2-fluoro-3-methoxyphenyl)methylamino]-1-methoxybutan-2-ol?
The canonical SMILES for 4-[(2-fluoro-3-methoxyphenyl)methylamino]-1-methoxybutan-2-ol is COCC(O)CCNCc1cccc(OC)c1F.
What is the InChIKey of 4-[(2-fluoro-3-methoxyphenyl)methylamino]-1-methoxybutan-2-ol?
The InChIKey is ZNGZMRXLWSQUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO3/c1-17-9-11(16)6-7-15-8-10-4-3-5-12(18-2)13(10)14/h3-5,11,15-16H,6-9H2,1-2H3.
What are the key properties of 4-[(2-fluoro-3-methoxyphenyl)methylamino]-1-methoxybutan-2-ol?
4-[(2-fluoro-3-methoxyphenyl)methylamino]-1-methoxybutan-2-ol has a molecular weight of 257.30 g/mol, XLogP of 1.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoro-3-methoxyphenyl)methylamino]-1-methoxybutan-2-ol is sourced from PubChem (CID 114163606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).