4-chloro-2-methoxy-6-[(3-methoxy-N-methylanilino)methyl]phenol

C16H18ClNO3 — CID 104667268

IUPAC4-chloro-2-methoxy-6-[(3-methoxy-N-methylanilino)methyl]phenol
SMILESCOc1cccc(N(C)Cc2cc(Cl)cc(OC)c2O)c1
InChIInChI=1S/C16H18ClNO3/c1-18(13-5-4-6-14(9-13)20-2)10-11-7-12(17)8-15(21-3)16(11)19/h4-9,19H,10H2,1-3H3
InChIKeyUZPNRGCVOYNXFL-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.70
Rot. Bonds5

About 4-chloro-2-methoxy-6-[(3-methoxy-N-methylanilino)methyl]phenol

4-chloro-2-methoxy-6-[(3-methoxy-N-methylanilino)methyl]phenol (PubChem CID 104667268) has the molecular formula C16H18ClNO3 and a molecular weight of 307.78 g/mol. Its IUPAC name is 4-chloro-2-methoxy-6-[(3-methoxy-N-methylanilino)methyl]phenol.

Molecular Properties

Compound Name4-chloro-2-methoxy-6-[(3-methoxy-N-methylanilino)methyl]phenol
PubChem CID104667268
Molecular FormulaC16H18ClNO3
Molecular Weight307.78 g/mol
Exact Mass307.10
IUPAC Name4-chloro-2-methoxy-6-[(3-methoxy-N-methylanilino)methyl]phenol
SMILESCOc1cccc(N(C)Cc2cc(Cl)cc(OC)c2O)c1
InChIInChI=1S/C16H18ClNO3/c1-18(13-5-4-6-14(9-13)20-2)10-11-7-12(17)8-15(21-3)16(11)19/h4-9,19H,10H2,1-3H3
InChIKeyUZPNRGCVOYNXFL-UHFFFAOYSA-N
XLogP3.70
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.70
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

4-chloro-2-methoxy-6-[(N,3,5-trimethylanilino)methyl]phenol
CID 104667284
6-[(3-methoxy-N-methylanilino)methyl]-1,3-benzodioxol-5-ol
CID 82957694
4-chloro-2-methoxy-6-[[methyl(pentan-3-yl)amino]methyl]phenol
CID 113436169
4-chloro-2-[(N-ethyl-2-fluoroanilino)methyl]-6-methoxyphenol
CID 104667270
N-ethyl-3-methoxy-N-methylaniline
CID 67357774
2-[carboxymethyl-[(5-chloro-2-hydroxy-3-methoxyphenyl)methyl]amino]acetic acid
CID 104667211
4-bromo-3-[(3-methoxy-N-methylanilino)methyl]aniline
CID 115297677
4-chloro-2-methoxy-6-[[methyl(oxan-4-yl)amino]methyl]phenol
CID 104643527
4-chloro-2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-6-methoxyphenol
CID 104637884
N-[(2-fluoro-3-nitrophenyl)methyl]-3-methoxy-N-methylaniline
CID 107348273
3-[(3-methoxy-N-methylanilino)methyl]pyridine-2-carboxylic acid
CID 63069373
4-[(3-methoxy-N-methylanilino)methyl]-5-methylthiophene-2-carboxylic acid
CID 80727338

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-6-[(3-methoxy-N-methylanilino)methyl]phenol?
The IUPAC name of 4-chloro-2-methoxy-6-[(3-methoxy-N-methylanilino)methyl]phenol (CID 104667268) is 4-chloro-2-methoxy-6-[(3-methoxy-N-methylanilino)methyl]phenol.
What is the SMILES notation for 4-chloro-2-methoxy-6-[(3-methoxy-N-methylanilino)methyl]phenol?
The canonical SMILES for 4-chloro-2-methoxy-6-[(3-methoxy-N-methylanilino)methyl]phenol is COc1cccc(N(C)Cc2cc(Cl)cc(OC)c2O)c1.
What is the InChIKey of 4-chloro-2-methoxy-6-[(3-methoxy-N-methylanilino)methyl]phenol?
The InChIKey is UZPNRGCVOYNXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3/c1-18(13-5-4-6-14(9-13)20-2)10-11-7-12(17)8-15(21-3)16(11)19/h4-9,19H,10H2,1-3H3.
What are the key properties of 4-chloro-2-methoxy-6-[(3-methoxy-N-methylanilino)methyl]phenol?
4-chloro-2-methoxy-6-[(3-methoxy-N-methylanilino)methyl]phenol has a molecular weight of 307.78 g/mol, XLogP of 3.70, 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-[(3-methoxy-N-methylanilino)methyl]phenol is sourced from PubChem (CID 104667268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).