2-chloro-6-[[2-(methoxymethyl)anilino]methyl]phenol

C15H16ClNO2 — CID 112553795

IUPAC2-chloro-6-[[2-(methoxymethyl)anilino]methyl]phenol
SMILESCOCc1ccccc1NCc1cccc(Cl)c1O
InChIInChI=1S/C15H16ClNO2/c1-19-10-12-5-2-3-8-14(12)17-9-11-6-4-7-13(16)15(11)18/h2-8,17-18H,9-10H2,1H3
InChIKeyWUKNSPIDUVNLPV-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.80
Rot. Bonds5

About 2-chloro-6-[[2-(methoxymethyl)anilino]methyl]phenol

2-chloro-6-[[2-(methoxymethyl)anilino]methyl]phenol (PubChem CID 112553795) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 2-chloro-6-[[2-(methoxymethyl)anilino]methyl]phenol.

Molecular Properties

Compound Name2-chloro-6-[[2-(methoxymethyl)anilino]methyl]phenol
PubChem CID112553795
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name2-chloro-6-[[2-(methoxymethyl)anilino]methyl]phenol
SMILESCOCc1ccccc1NCc1cccc(Cl)c1O
InChIInChI=1S/C15H16ClNO2/c1-19-10-12-5-2-3-8-14(12)17-9-11-6-4-7-13(16)15(11)18/h2-8,17-18H,9-10H2,1H3
InChIKeyWUKNSPIDUVNLPV-UHFFFAOYSA-N
XLogP3.80
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.80
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

N-[(2,6-dichlorophenyl)methyl]-2-(methoxymethyl)aniline
CID 43677929
2-bromo-6-[[2-(methoxymethyl)anilino]methyl]phenol
CID 61390986
2-chloro-6-[(2-methylsulfonylanilino)methyl]phenol
CID 115951350
methyl 3-[(3-chloro-2-hydroxyphenyl)methylamino]-2-methylbenzoate
CID 115951267
2-[(3-chloro-2-hydroxyphenyl)methylamino]benzoic acid
CID 112606376
N-benzyl-2-(methoxymethyl)aniline
CID 43677932
2-chloro-6-[[(2-methyl-3-pyridinyl)amino]methyl]phenol
CID 112554995
N-[(4-chloro-2-fluorophenyl)methyl]-2-(methoxymethyl)aniline
CID 114841617
2-[(3-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide
CID 115951452
2-chloro-6-[(2-chloro-5-methylanilino)methyl]phenol
CID 107631121
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(methoxymethyl)aniline
CID 61038504
2-chloro-6-[(2,5-dimethylanilino)methyl]phenol
CID 112553770

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[[2-(methoxymethyl)anilino]methyl]phenol?
The IUPAC name of 2-chloro-6-[[2-(methoxymethyl)anilino]methyl]phenol (CID 112553795) is 2-chloro-6-[[2-(methoxymethyl)anilino]methyl]phenol.
What is the SMILES notation for 2-chloro-6-[[2-(methoxymethyl)anilino]methyl]phenol?
The canonical SMILES for 2-chloro-6-[[2-(methoxymethyl)anilino]methyl]phenol is COCc1ccccc1NCc1cccc(Cl)c1O.
What is the InChIKey of 2-chloro-6-[[2-(methoxymethyl)anilino]methyl]phenol?
The InChIKey is WUKNSPIDUVNLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-19-10-12-5-2-3-8-14(12)17-9-11-6-4-7-13(16)15(11)18/h2-8,17-18H,9-10H2,1H3.
What are the key properties of 2-chloro-6-[[2-(methoxymethyl)anilino]methyl]phenol?
2-chloro-6-[[2-(methoxymethyl)anilino]methyl]phenol has a molecular weight of 277.75 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[[2-(methoxymethyl)anilino]methyl]phenol is sourced from PubChem (CID 112553795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).