4-chloro-2-methoxy-6-[(N,3,5-trimethylanilino)methyl]phenol

C17H20ClNO2 — CID 104667284

IUPAC4-chloro-2-methoxy-6-[(N,3,5-trimethylanilino)methyl]phenol
SMILESCOc1cc(Cl)cc(CN(C)c2cc(C)cc(C)c2)c1O
InChIInChI=1S/C17H20ClNO2/c1-11-5-12(2)7-15(6-11)19(3)10-13-8-14(18)9-16(21-4)17(13)20/h5-9,20H,10H2,1-4H3
InChIKeyAWABLUZIRMGTNV-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.31
Rot. Bonds4

About 4-chloro-2-methoxy-6-[(N,3,5-trimethylanilino)methyl]phenol

4-chloro-2-methoxy-6-[(N,3,5-trimethylanilino)methyl]phenol (PubChem CID 104667284) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 4-chloro-2-methoxy-6-[(N,3,5-trimethylanilino)methyl]phenol.

Molecular Properties

Compound Name4-chloro-2-methoxy-6-[(N,3,5-trimethylanilino)methyl]phenol
PubChem CID104667284
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name4-chloro-2-methoxy-6-[(N,3,5-trimethylanilino)methyl]phenol
SMILESCOc1cc(Cl)cc(CN(C)c2cc(C)cc(C)c2)c1O
InChIInChI=1S/C17H20ClNO2/c1-11-5-12(2)7-15(6-11)19(3)10-13-8-14(18)9-16(21-4)17(13)20/h5-9,20H,10H2,1-4H3
InChIKeyAWABLUZIRMGTNV-UHFFFAOYSA-N
XLogP4.31
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-methoxy-6-[(3-methoxy-N-methylanilino)methyl]phenol
CID 104667268
4-chloro-2-[(N,3,5-trimethylanilino)methyl]phenol
CID 82978606
4-chloro-2-methoxy-6-[[methyl(pentan-3-yl)amino]methyl]phenol
CID 113436169
2-[carboxymethyl-[(5-chloro-2-hydroxy-3-methoxyphenyl)methyl]amino]acetic acid
CID 104667211
5-methoxy-2-[(N,3,5-trimethylanilino)methyl]phenol
CID 82978542
4-chloro-2-methoxy-6-[[methyl(oxan-4-yl)amino]methyl]phenol
CID 104643527
2-[(5-chloro-2-hydroxy-3-methoxyphenyl)methyl-methylamino]-N-ethylacetamide
CID 104643530
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N,3,5-trimethylaniline
CID 62018373
4-chloro-2-methoxy-6-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol
CID 104645244
4-chloro-2-[(N-ethyl-2-fluoroanilino)methyl]-6-methoxyphenol
CID 104667270
4-chloro-2-methoxy-6-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]phenol
CID 104643533
4-chloro-2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-6-methoxyphenol
CID 104637884

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-6-[(N,3,5-trimethylanilino)methyl]phenol?
The IUPAC name of 4-chloro-2-methoxy-6-[(N,3,5-trimethylanilino)methyl]phenol (CID 104667284) is 4-chloro-2-methoxy-6-[(N,3,5-trimethylanilino)methyl]phenol.
What is the SMILES notation for 4-chloro-2-methoxy-6-[(N,3,5-trimethylanilino)methyl]phenol?
The canonical SMILES for 4-chloro-2-methoxy-6-[(N,3,5-trimethylanilino)methyl]phenol is COc1cc(Cl)cc(CN(C)c2cc(C)cc(C)c2)c1O.
What is the InChIKey of 4-chloro-2-methoxy-6-[(N,3,5-trimethylanilino)methyl]phenol?
The InChIKey is AWABLUZIRMGTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-11-5-12(2)7-15(6-11)19(3)10-13-8-14(18)9-16(21-4)17(13)20/h5-9,20H,10H2,1-4H3.
What are the key properties of 4-chloro-2-methoxy-6-[(N,3,5-trimethylanilino)methyl]phenol?
4-chloro-2-methoxy-6-[(N,3,5-trimethylanilino)methyl]phenol has a molecular weight of 305.81 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxy-6-[(N,3,5-trimethylanilino)methyl]phenol is sourced from PubChem (CID 104667284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).