4-methoxy-2-[[[3-(methoxymethyl)phenyl]methylamino]methyl]phenol

C17H21NO3 — CID 61003043

IUPAC4-methoxy-2-[[[3-(methoxymethyl)phenyl]methylamino]methyl]phenol
SMILESCOCc1cccc(CNCc2cc(OC)ccc2O)c1
InChIInChI=1S/C17H21NO3/c1-20-12-14-5-3-4-13(8-14)10-18-11-15-9-16(21-2)6-7-17(15)19/h3-9,18-19H,10-12H2,1-2H3
InChIKeyPMSKCELWCPQTFW-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.84
Rot. Bonds7

About 4-methoxy-2-[[[3-(methoxymethyl)phenyl]methylamino]methyl]phenol

4-methoxy-2-[[[3-(methoxymethyl)phenyl]methylamino]methyl]phenol (PubChem CID 61003043) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-methoxy-2-[[[3-(methoxymethyl)phenyl]methylamino]methyl]phenol.

Molecular Properties

Compound Name4-methoxy-2-[[[3-(methoxymethyl)phenyl]methylamino]methyl]phenol
PubChem CID61003043
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name4-methoxy-2-[[[3-(methoxymethyl)phenyl]methylamino]methyl]phenol
SMILESCOCc1cccc(CNCc2cc(OC)ccc2O)c1
InChIInChI=1S/C17H21NO3/c1-20-12-14-5-3-4-13(8-14)10-18-11-15-9-16(21-2)6-7-17(15)19/h3-9,18-19H,10-12H2,1-2H3
InChIKeyPMSKCELWCPQTFW-UHFFFAOYSA-N
XLogP2.84
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
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4-methoxy-2-[(2-phenylethylamino)methyl]phenol
CID 28615660
2-[(furan-3-ylmethylamino)methyl]-4-methoxyphenol
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N-[(2-ethylphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 62392624
2-[[[3-(methoxymethyl)phenyl]methylamino]methyl]aniline
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4-methoxy-2-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]phenol
CID 79353071
2-[[3-(methoxymethyl)phenyl]methylamino]ethanol
CID 61004164
2-[[[3-(methoxymethyl)phenyl]methylamino]methyl]benzoic acid
CID 103241682
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 738572
2-[(but-2-ynylamino)methyl]-4-methoxyphenol
CID 115908793
2-[[(2,4-difluorophenyl)methylamino]methyl]-4-methoxyphenol
CID 62222408
4-chloro-2-[[(4-methoxyphenyl)methylamino]methyl]phenol;hydrochloride
CID 25163886

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[[[3-(methoxymethyl)phenyl]methylamino]methyl]phenol?
The IUPAC name of 4-methoxy-2-[[[3-(methoxymethyl)phenyl]methylamino]methyl]phenol (CID 61003043) is 4-methoxy-2-[[[3-(methoxymethyl)phenyl]methylamino]methyl]phenol.
What is the SMILES notation for 4-methoxy-2-[[[3-(methoxymethyl)phenyl]methylamino]methyl]phenol?
The canonical SMILES for 4-methoxy-2-[[[3-(methoxymethyl)phenyl]methylamino]methyl]phenol is COCc1cccc(CNCc2cc(OC)ccc2O)c1.
What is the InChIKey of 4-methoxy-2-[[[3-(methoxymethyl)phenyl]methylamino]methyl]phenol?
The InChIKey is PMSKCELWCPQTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-20-12-14-5-3-4-13(8-14)10-18-11-15-9-16(21-2)6-7-17(15)19/h3-9,18-19H,10-12H2,1-2H3.
What are the key properties of 4-methoxy-2-[[[3-(methoxymethyl)phenyl]methylamino]methyl]phenol?
4-methoxy-2-[[[3-(methoxymethyl)phenyl]methylamino]methyl]phenol has a molecular weight of 287.36 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[[[3-(methoxymethyl)phenyl]methylamino]methyl]phenol is sourced from PubChem (CID 61003043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).