2-chloro-6-methoxy-4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]phenol

C15H24ClNO4 — CID 82958065

IUPAC2-chloro-6-methoxy-4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]phenol
SMILESCOCCCN(CCOC)Cc1cc(Cl)c(O)c(OC)c1
InChIInChI=1S/C15H24ClNO4/c1-19-7-4-5-17(6-8-20-2)11-12-9-13(16)15(18)14(10-12)21-3/h9-10,18H,4-8,11H2,1-3H3
InChIKeyUMQUIPZQCXGUNF-UHFFFAOYSA-N
MW317.81 g/mol
LogP2.54
Rot. Bonds10

About 2-chloro-6-methoxy-4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]phenol

2-chloro-6-methoxy-4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]phenol (PubChem CID 82958065) has the molecular formula C15H24ClNO4 and a molecular weight of 317.81 g/mol. Its IUPAC name is 2-chloro-6-methoxy-4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-chloro-6-methoxy-4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]phenol
PubChem CID82958065
Molecular FormulaC15H24ClNO4
Molecular Weight317.81 g/mol
Exact Mass317.14
IUPAC Name2-chloro-6-methoxy-4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]phenol
SMILESCOCCCN(CCOC)Cc1cc(Cl)c(O)c(OC)c1
InChIInChI=1S/C15H24ClNO4/c1-19-7-4-5-17(6-8-20-2)11-12-9-13(16)15(18)14(10-12)21-3/h9-10,18H,4-8,11H2,1-3H3
InChIKeyUMQUIPZQCXGUNF-UHFFFAOYSA-N
XLogP2.54
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.81
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-[[2-(dimethylamino)ethyl-methylamino]methyl]-6-methoxyphenol
CID 82981074
4-[(dipropylamino)methyl]-2,6-dimethoxyphenol;hydrochloride
CID 45259533
N-[(2-chloro-4-pyridinyl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 62305635
2-chloro-6-methoxy-4-[[methyl(pentan-3-yl)amino]methyl]phenol
CID 82976773
2-chloro-6-methoxy-4-[[methyl(2-methylsulfonylethyl)amino]methyl]phenol
CID 82983833
[4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]phenyl]methanol
CID 112631210
2-[(2,6-dichloro-4-pyridinyl)methyl-(2-methoxyethyl)amino]ethanol
CID 111436382
2-chloro-6-methoxy-4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol
CID 82979703
2-chloro-6-methoxy-4-[[methyl(oxan-4-yl)amino]methyl]phenol
CID 82977675
5-methoxy-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]phenol
CID 82978309
4-[[ethyl(2-methoxyethyl)amino]methyl]-2,6-dimethylphenol
CID 82986228
4-bromo-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-6-methylphenol
CID 115903850

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methoxy-4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]phenol?
The IUPAC name of 2-chloro-6-methoxy-4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]phenol (CID 82958065) is 2-chloro-6-methoxy-4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]phenol.
What is the SMILES notation for 2-chloro-6-methoxy-4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]phenol?
The canonical SMILES for 2-chloro-6-methoxy-4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]phenol is COCCCN(CCOC)Cc1cc(Cl)c(O)c(OC)c1.
What is the InChIKey of 2-chloro-6-methoxy-4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]phenol?
The InChIKey is UMQUIPZQCXGUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO4/c1-19-7-4-5-17(6-8-20-2)11-12-9-13(16)15(18)14(10-12)21-3/h9-10,18H,4-8,11H2,1-3H3.
What are the key properties of 2-chloro-6-methoxy-4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]phenol?
2-chloro-6-methoxy-4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]phenol has a molecular weight of 317.81 g/mol, XLogP of 2.54, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methoxy-4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]phenol is sourced from PubChem (CID 82958065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).