4-chloro-2-methoxy-6-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol

C15H22ClNO3 — CID 104645244

IUPAC4-chloro-2-methoxy-6-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol
SMILESCOc1cc(Cl)cc(CN(C)CC2CCOCC2)c1O
InChIInChI=1S/C15H22ClNO3/c1-17(9-11-3-5-20-6-4-11)10-12-7-13(16)8-14(19-2)15(12)18/h7-8,11,18H,3-6,9-10H2,1-2H3
InChIKeyCDDRRRJPKQTLOY-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.91
Rot. Bonds5

About 4-chloro-2-methoxy-6-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol

4-chloro-2-methoxy-6-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol (PubChem CID 104645244) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is 4-chloro-2-methoxy-6-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol.

Molecular Properties

Compound Name4-chloro-2-methoxy-6-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol
PubChem CID104645244
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC Name4-chloro-2-methoxy-6-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol
SMILESCOc1cc(Cl)cc(CN(C)CC2CCOCC2)c1O
InChIInChI=1S/C15H22ClNO3/c1-17(9-11-3-5-20-6-4-11)10-12-7-13(16)8-14(19-2)15(12)18/h7-8,11,18H,3-6,9-10H2,1-2H3
InChIKeyCDDRRRJPKQTLOY-UHFFFAOYSA-N
XLogP2.91
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5-Chloro-2-isopropoxy-3-methoxybenzyl)methylamine hydrochloride
CID 2960537
N-(5-chloro-2-isopropoxy-3-methoxybenzyl)-N-ethylamine
CID 15944906
2-{[(2-Chlorobenzyl)amino]methyl}-6-methoxyphenol
CID 28446881
2-(2-(((4-Chlorobenzyl)(methyl)amino)methyl)-4-chlorophenoxy)-5-chlorophenol
CID 44410066
5-Chloro-2-(4-chloro-2-((methylamino)methyl)phenoxy)phenol
CID 44410098
5-Chloro-2-(4-chloro-2-((dimethylamino)methyl)phenoxy)phenol
CID 44410134
5-Chloro-2-(4-chloro-2-(pyrrolidin-1-ylmethyl)phenoxy)phenol
CID 44410138
5-Chloro-2-(4-chloro-2-(piperidin-1-ylmethyl)phenoxy)phenol
CID 44410233
2-(2-((4-Benzylpiperazin-1-yl)methyl)-4-chlorophenoxy)-5-chlorophenol
CID 44410238
2-[[4-[2-[(4-Chlorophenyl)-phenylmethoxy]ethyl]piperidin-1-yl]methyl]-6-methoxyphenol
CID 44529533
2-{[(3-Chlorobenzyl)amino]methyl}-6-methoxyphenol
CID 45030038
2-{[(3-Chloro-4-fluorobenzyl)amino]methyl}-6-methoxyphenol
CID 45030040

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-6-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol?
The IUPAC name of 4-chloro-2-methoxy-6-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol (CID 104645244) is 4-chloro-2-methoxy-6-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol.
What is the SMILES notation for 4-chloro-2-methoxy-6-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol?
The canonical SMILES for 4-chloro-2-methoxy-6-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol is COc1cc(Cl)cc(CN(C)CC2CCOCC2)c1O.
What is the InChIKey of 4-chloro-2-methoxy-6-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol?
The InChIKey is CDDRRRJPKQTLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3/c1-17(9-11-3-5-20-6-4-11)10-12-7-13(16)8-14(19-2)15(12)18/h7-8,11,18H,3-6,9-10H2,1-2H3.
What are the key properties of 4-chloro-2-methoxy-6-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol?
4-chloro-2-methoxy-6-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol has a molecular weight of 299.80 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxy-6-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol is sourced from PubChem (CID 104645244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).