2,6-dimethoxy-4-[[(2-methylphenyl)methyl-prop-2-enylamino]methyl]phenol

C20H25NO3 — CID 46993480

IUPAC2,6-dimethoxy-4-[[(2-methylphenyl)methyl-prop-2-enylamino]methyl]phenol
SMILESC=CCN(Cc1cc(OC)c(O)c(OC)c1)Cc1ccccc1C
InChIInChI=1S/C20H25NO3/c1-5-10-21(14-17-9-7-6-8-15(17)2)13-16-11-18(23-3)20(22)19(12-16)24-4/h5-9,11-12,22H,1,10,13-14H2,2-4H3
InChIKeyOCVFTDCXNBZZCA-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.91
Rot. Bonds8

About 2,6-dimethoxy-4-[[(2-methylphenyl)methyl-prop-2-enylamino]methyl]phenol

2,6-dimethoxy-4-[[(2-methylphenyl)methyl-prop-2-enylamino]methyl]phenol (PubChem CID 46993480) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 2,6-dimethoxy-4-[[(2-methylphenyl)methyl-prop-2-enylamino]methyl]phenol.

Molecular Properties

Compound Name2,6-dimethoxy-4-[[(2-methylphenyl)methyl-prop-2-enylamino]methyl]phenol
PubChem CID46993480
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name2,6-dimethoxy-4-[[(2-methylphenyl)methyl-prop-2-enylamino]methyl]phenol
SMILESC=CCN(Cc1cc(OC)c(O)c(OC)c1)Cc1ccccc1C
InChIInChI=1S/C20H25NO3/c1-5-10-21(14-17-9-7-6-8-15(17)2)13-16-11-18(23-3)20(22)19(12-16)24-4/h5-9,11-12,22H,1,10,13-14H2,2-4H3
InChIKeyOCVFTDCXNBZZCA-UHFFFAOYSA-N
XLogP3.91
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-methylphenyl)methyl-prop-2-enylamino]ethanol
CID 111423251
2,6-dimethoxy-4-[[(2-methylphenyl)methylamino]methyl]phenol
CID 60657941
2-[(2-methylphenyl)methyl-prop-2-enylamino]acetic acid
CID 39243977
2-[(2-methoxyphenyl)methyl-prop-2-enylamino]ethanol
CID 115610796
2-[[benzyl(prop-2-enyl)amino]methyl]phenol
CID 11391135
4-[(dipropylamino)methyl]-2,6-dimethoxyphenol;hydrochloride
CID 45259533
4-[(dimethylamino)methyl]-2,6-dimethoxyphenol
CID 10066574
3-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]-5-methoxyaniline
CID 81146090
2-[(dimethylamino)methyl]-6-methoxy-4-prop-2-enylphenol
CID 12032541
N,N,N',N'-tetrakis[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 86028064
N-[(2-methoxyphenyl)methyl]-N-(quinolin-2-ylmethyl)prop-2-en-1-amine
CID 46995623
(2S)-1-[benzyl-[(2-methylphenyl)methyl]amino]hex-5-en-2-ol
CID 93164977

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-[[(2-methylphenyl)methyl-prop-2-enylamino]methyl]phenol?
The IUPAC name of 2,6-dimethoxy-4-[[(2-methylphenyl)methyl-prop-2-enylamino]methyl]phenol (CID 46993480) is 2,6-dimethoxy-4-[[(2-methylphenyl)methyl-prop-2-enylamino]methyl]phenol.
What is the SMILES notation for 2,6-dimethoxy-4-[[(2-methylphenyl)methyl-prop-2-enylamino]methyl]phenol?
The canonical SMILES for 2,6-dimethoxy-4-[[(2-methylphenyl)methyl-prop-2-enylamino]methyl]phenol is C=CCN(Cc1cc(OC)c(O)c(OC)c1)Cc1ccccc1C.
What is the InChIKey of 2,6-dimethoxy-4-[[(2-methylphenyl)methyl-prop-2-enylamino]methyl]phenol?
The InChIKey is OCVFTDCXNBZZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-5-10-21(14-17-9-7-6-8-15(17)2)13-16-11-18(23-3)20(22)19(12-16)24-4/h5-9,11-12,22H,1,10,13-14H2,2-4H3.
What are the key properties of 2,6-dimethoxy-4-[[(2-methylphenyl)methyl-prop-2-enylamino]methyl]phenol?
2,6-dimethoxy-4-[[(2-methylphenyl)methyl-prop-2-enylamino]methyl]phenol has a molecular weight of 327.42 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-[[(2-methylphenyl)methyl-prop-2-enylamino]methyl]phenol is sourced from PubChem (CID 46993480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).