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

C15H16ClNO2 — CID 62867698

IUPAC4-chloro-2-[(4-methoxy-2-methylanilino)methyl]phenol
SMILESCOc1ccc(NCc2cc(Cl)ccc2O)c(C)c1
InChIInChI=1S/C15H16ClNO2/c1-10-7-13(19-2)4-5-14(10)17-9-11-8-12(16)3-6-15(11)18/h3-8,17-18H,9H2,1-2H3
InChIKeyHZXVWTZJGCEKOO-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.97
Rot. Bonds4

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

4-chloro-2-[(4-methoxy-2-methylanilino)methyl]phenol (PubChem CID 62867698) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 4-chloro-2-[(4-methoxy-2-methylanilino)methyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[(4-methoxy-2-methylanilino)methyl]phenol
PubChem CID62867698
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name4-chloro-2-[(4-methoxy-2-methylanilino)methyl]phenol
SMILESCOc1ccc(NCc2cc(Cl)ccc2O)c(C)c1
InChIInChI=1S/C15H16ClNO2/c1-10-7-13(19-2)4-5-14(10)17-9-11-8-12(16)3-6-15(11)18/h3-8,17-18H,9H2,1-2H3
InChIKeyHZXVWTZJGCEKOO-UHFFFAOYSA-N
XLogP3.97
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[(4-chloro-2-methylanilino)methyl]-4-methoxyphenol
CID 28622648
2-[(4-ethoxy-2-methylanilino)methyl]-4-methoxyphenol
CID 60935381
4-[(4-methoxy-2-methylanilino)methyl]benzene-1,2,3-triol
CID 103953018
4-[(5-chloro-2-hydroxyphenyl)methylamino]-3-methylbenzoic acid
CID 43736136
4-methoxy-2-[(3-methoxy-2,4-dimethylanilino)methyl]phenol
CID 43738907
N-[(4-chloro-2-methylphenyl)methyl]-2,4-dimethoxyaniline
CID 104853998
4-chloro-2-[(2,4-dibromo-5-methoxyanilino)methyl]phenol
CID 103411754
2-[(2,6-difluoro-3-methylanilino)methyl]-4-methoxyphenol
CID 82815902
N-(4-chloro-2-methylphenyl)-4-methoxy-2-methylaniline
CID 139611066
2-chloro-N-[(2,5-dichlorophenyl)methyl]-5-methoxyaniline
CID 65315824
4-chloro-2-[[(4-methoxyphenyl)methylamino]methyl]phenol;hydrochloride
CID 25163886
2-[(5-bromo-2-methylanilino)methyl]-4-chlorophenol
CID 43729647

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(4-methoxy-2-methylanilino)methyl]phenol?
The IUPAC name of 4-chloro-2-[(4-methoxy-2-methylanilino)methyl]phenol (CID 62867698) is 4-chloro-2-[(4-methoxy-2-methylanilino)methyl]phenol.
What is the SMILES notation for 4-chloro-2-[(4-methoxy-2-methylanilino)methyl]phenol?
The canonical SMILES for 4-chloro-2-[(4-methoxy-2-methylanilino)methyl]phenol is COc1ccc(NCc2cc(Cl)ccc2O)c(C)c1.
What is the InChIKey of 4-chloro-2-[(4-methoxy-2-methylanilino)methyl]phenol?
The InChIKey is HZXVWTZJGCEKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-10-7-13(19-2)4-5-14(10)17-9-11-8-12(16)3-6-15(11)18/h3-8,17-18H,9H2,1-2H3.
What are the key properties of 4-chloro-2-[(4-methoxy-2-methylanilino)methyl]phenol?
4-chloro-2-[(4-methoxy-2-methylanilino)methyl]phenol has a molecular weight of 277.75 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(4-methoxy-2-methylanilino)methyl]phenol is sourced from PubChem (CID 62867698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).