2,6-dimethoxy-4-(propylaminomethyl)phenol;hydrochloride

C12H20ClNO3 — CID 45259502

IUPAC2,6-dimethoxy-4-(propylaminomethyl)phenol;hydrochloride
SMILESCCCNCc1cc(OC)c(O)c(OC)c1.Cl
InChIInChI=1S/C12H19NO3.ClH/c1-4-5-13-8-9-6-10(15-2)12(14)11(7-9)16-3;/h6-7,13-14H,4-5,8H2,1-3H3;1H
InChIKeySNVIWBNEFOWNNM-UHFFFAOYSA-N
MW261.75 g/mol
LogP2.33
Rot. Bonds6

About 2,6-dimethoxy-4-(propylaminomethyl)phenol;hydrochloride

2,6-dimethoxy-4-(propylaminomethyl)phenol;hydrochloride (PubChem CID 45259502) has the molecular formula C12H20ClNO3 and a molecular weight of 261.75 g/mol. Its IUPAC name is 2,6-dimethoxy-4-(propylaminomethyl)phenol;hydrochloride.

Molecular Properties

Compound Name2,6-dimethoxy-4-(propylaminomethyl)phenol;hydrochloride
PubChem CID45259502
Molecular FormulaC12H20ClNO3
Molecular Weight261.75 g/mol
Exact Mass261.11
IUPAC Name2,6-dimethoxy-4-(propylaminomethyl)phenol;hydrochloride
SMILESCCCNCc1cc(OC)c(O)c(OC)c1.Cl
InChIInChI=1S/C12H19NO3.ClH/c1-4-5-13-8-9-6-10(15-2)12(14)11(7-9)16-3;/h6-7,13-14H,4-5,8H2,1-3H3;1H
InChIKeySNVIWBNEFOWNNM-UHFFFAOYSA-N
XLogP2.33
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 52.33
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

N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine;hydrochloride
CID 17293493
2,6-dimethoxy-4-[(2-methoxyethylamino)methyl]phenol
CID 3614509
N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]propan-1-amine
CID 43516566
4-[[2-(2-hydroxyethoxy)ethylamino]methyl]-2,6-dimethoxyphenol
CID 28727979
5-(propylaminomethyl)benzene-1,2,3-triol
CID 160666536
2,6-dimethoxy-4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]phenol
CID 114466035
N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-1-amine
CID 4717518
4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-2,6-dimethoxyphenol
CID 115359239
2,6-dimethoxy-4-[[(3-methylcyclopentyl)methylamino]methyl]phenol
CID 107411940
4-[(2,2-dimethylhydrazinyl)methyl]-2,6-dimethoxyphenol
CID 83002999
2-[2-bromo-6-methoxy-4-(propylaminomethyl)phenoxy]ethanol
CID 43622374
N-[[4-(ethoxymethoxy)-3-methoxyphenyl]methyl]propan-1-amine
CID 65369500

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-(propylaminomethyl)phenol;hydrochloride?
The IUPAC name of 2,6-dimethoxy-4-(propylaminomethyl)phenol;hydrochloride (CID 45259502) is 2,6-dimethoxy-4-(propylaminomethyl)phenol;hydrochloride.
What is the SMILES notation for 2,6-dimethoxy-4-(propylaminomethyl)phenol;hydrochloride?
The canonical SMILES for 2,6-dimethoxy-4-(propylaminomethyl)phenol;hydrochloride is CCCNCc1cc(OC)c(O)c(OC)c1.Cl.
What is the InChIKey of 2,6-dimethoxy-4-(propylaminomethyl)phenol;hydrochloride?
The InChIKey is SNVIWBNEFOWNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3.ClH/c1-4-5-13-8-9-6-10(15-2)12(14)11(7-9)16-3;/h6-7,13-14H,4-5,8H2,1-3H3;1H.
What are the key properties of 2,6-dimethoxy-4-(propylaminomethyl)phenol;hydrochloride?
2,6-dimethoxy-4-(propylaminomethyl)phenol;hydrochloride has a molecular weight of 261.75 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-(propylaminomethyl)phenol;hydrochloride is sourced from PubChem (CID 45259502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).