4-methoxy-3-[[3-(methoxymethyl)phenyl]methylamino]butan-1-ol

C14H23NO3 — CID 113243238

IUPAC4-methoxy-3-[[3-(methoxymethyl)phenyl]methylamino]butan-1-ol
SMILESCOCc1cccc(CNC(CCO)COC)c1
InChIInChI=1S/C14H23NO3/c1-17-10-13-5-3-4-12(8-13)9-15-14(6-7-16)11-18-2/h3-5,8,14-16H,6-7,9-11H2,1-2H3
InChIKeyVUCFZNQKHOCEBX-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.32
Rot. Bonds9

About 4-methoxy-3-[[3-(methoxymethyl)phenyl]methylamino]butan-1-ol

4-methoxy-3-[[3-(methoxymethyl)phenyl]methylamino]butan-1-ol (PubChem CID 113243238) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 4-methoxy-3-[[3-(methoxymethyl)phenyl]methylamino]butan-1-ol.

Molecular Properties

Compound Name4-methoxy-3-[[3-(methoxymethyl)phenyl]methylamino]butan-1-ol
PubChem CID113243238
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name4-methoxy-3-[[3-(methoxymethyl)phenyl]methylamino]butan-1-ol
SMILESCOCc1cccc(CNC(CCO)COC)c1
InChIInChI=1S/C14H23NO3/c1-17-10-13-5-3-4-12(8-13)9-15-14(6-7-16)11-18-2/h3-5,8,14-16H,6-7,9-11H2,1-2H3
InChIKeyVUCFZNQKHOCEBX-UHFFFAOYSA-N
XLogP1.32
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(1-methoxybutan-2-ylamino)methyl]phenyl]methanol
CID 115717750
(2R)-2-[[3-(methoxymethyl)phenyl]methylamino]propan-1-ol
CID 114986461
3-[(4-bromo-3-fluorophenyl)methylamino]-4-methoxybutan-1-ol
CID 103773727
3-[[[(2R)-1-methoxybutan-2-yl]amino]methyl]phenol
CID 95366317
3-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]benzene-1,2-diol
CID 113357879
2-[[3-(methoxymethyl)phenyl]methylamino]ethanol
CID 61004164
2-fluoro-4-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]benzoic acid
CID 106162247
3-[(1-hydroxypentan-3-ylamino)methyl]phenol
CID 111449151
N-[[3-(methoxymethyl)phenyl]methyl]butan-2-amine
CID 61003374
3-[3-(methoxymethyl)phenyl]propan-1-ol
CID 117278462
4-methoxy-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]butan-1-ol
CID 106156668
3-[[(1-hydroxy-3-methoxypropan-2-yl)amino]methyl]benzoic acid
CID 106191012

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[[3-(methoxymethyl)phenyl]methylamino]butan-1-ol?
The IUPAC name of 4-methoxy-3-[[3-(methoxymethyl)phenyl]methylamino]butan-1-ol (CID 113243238) is 4-methoxy-3-[[3-(methoxymethyl)phenyl]methylamino]butan-1-ol.
What is the SMILES notation for 4-methoxy-3-[[3-(methoxymethyl)phenyl]methylamino]butan-1-ol?
The canonical SMILES for 4-methoxy-3-[[3-(methoxymethyl)phenyl]methylamino]butan-1-ol is COCc1cccc(CNC(CCO)COC)c1.
What is the InChIKey of 4-methoxy-3-[[3-(methoxymethyl)phenyl]methylamino]butan-1-ol?
The InChIKey is VUCFZNQKHOCEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-17-10-13-5-3-4-12(8-13)9-15-14(6-7-16)11-18-2/h3-5,8,14-16H,6-7,9-11H2,1-2H3.
What are the key properties of 4-methoxy-3-[[3-(methoxymethyl)phenyl]methylamino]butan-1-ol?
4-methoxy-3-[[3-(methoxymethyl)phenyl]methylamino]butan-1-ol has a molecular weight of 253.34 g/mol, XLogP of 1.32, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[[3-(methoxymethyl)phenyl]methylamino]butan-1-ol is sourced from PubChem (CID 113243238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).