2-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]-6-methylphenol

C16H18ClNO2 — CID 103291995

IUPAC2-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]-6-methylphenol
SMILESCOc1cccc(Cl)c1CNCc1cccc(C)c1O
InChIInChI=1S/C16H18ClNO2/c1-11-5-3-6-12(16(11)19)9-18-10-13-14(17)7-4-8-15(13)20-2/h3-8,18-19H,9-10H2,1-2H3
InChIKeyNESUMDGNYAQKCI-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.65
Rot. Bonds5

About 2-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]-6-methylphenol

2-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]-6-methylphenol (PubChem CID 103291995) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]-6-methylphenol.

Molecular Properties

Compound Name2-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]-6-methylphenol
PubChem CID103291995
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name2-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]-6-methylphenol
SMILESCOc1cccc(Cl)c1CNCc1cccc(C)c1O
InChIInChI=1S/C16H18ClNO2/c1-11-5-3-6-12(16(11)19)9-18-10-13-14(17)7-4-8-15(13)20-2/h3-8,18-19H,9-10H2,1-2H3
InChIKeyNESUMDGNYAQKCI-UHFFFAOYSA-N
XLogP3.65
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-6-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]phenol
CID 103292059
3-chloro-2-[[(2-methoxyphenyl)methylamino]methyl]phenol
CID 78959797
1-[(2-chloro-6-methoxyphenyl)methylamino]propan-2-ol
CID 115634692
2-[(2-chloro-6-methylanilino)methyl]-6-methoxyphenol
CID 51047338
N-[[2-chloro-6-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 114319014
N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-indol-4-yl)methanamine
CID 103292073
N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-indol-3-yl)methanamine
CID 103291932
N-[(2-chloro-6-methoxyphenyl)methyl]-1-(5-methylthiophen-2-yl)methanamine
CID 115634843
N-[(2-chloro-6-methoxyphenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 103292723
2-[(2-chloro-6-methoxyphenyl)methylamino]-N'-hydroxyethanimidamide
CID 103292703
5-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylphenol
CID 107700839
2-amino-3-[(2-chloro-6-methoxyphenyl)methylamino]propanamide
CID 103292977

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]-6-methylphenol?
The IUPAC name of 2-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]-6-methylphenol (CID 103291995) is 2-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]-6-methylphenol.
What is the SMILES notation for 2-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]-6-methylphenol?
The canonical SMILES for 2-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]-6-methylphenol is COc1cccc(Cl)c1CNCc1cccc(C)c1O.
What is the InChIKey of 2-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]-6-methylphenol?
The InChIKey is NESUMDGNYAQKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-11-5-3-6-12(16(11)19)9-18-10-13-14(17)7-4-8-15(13)20-2/h3-8,18-19H,9-10H2,1-2H3.
What are the key properties of 2-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]-6-methylphenol?
2-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]-6-methylphenol has a molecular weight of 291.78 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]-6-methylphenol is sourced from PubChem (CID 103291995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).