2-[(4-chloro-2-methylanilino)methyl]-4-methoxyphenol

C15H16ClNO2 — CID 28622648

IUPAC2-[(4-chloro-2-methylanilino)methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(CNc2ccc(Cl)cc2C)c1
InChIInChI=1S/C15H16ClNO2/c1-10-7-12(16)3-5-14(10)17-9-11-8-13(19-2)4-6-15(11)18/h3-8,17-18H,9H2,1-2H3
InChIKeyNMUJSZDNVQDBBQ-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.97
Rot. Bonds4

About 2-[(4-chloro-2-methylanilino)methyl]-4-methoxyphenol

2-[(4-chloro-2-methylanilino)methyl]-4-methoxyphenol (PubChem CID 28622648) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 2-[(4-chloro-2-methylanilino)methyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[(4-chloro-2-methylanilino)methyl]-4-methoxyphenol
PubChem CID28622648
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name2-[(4-chloro-2-methylanilino)methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(CNc2ccc(Cl)cc2C)c1
InChIInChI=1S/C15H16ClNO2/c1-10-7-12(16)3-5-14(10)17-9-11-8-13(19-2)4-6-15(11)18/h3-8,17-18H,9H2,1-2H3
InChIKeyNMUJSZDNVQDBBQ-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'}

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Related Compounds

4-chloro-2-[(4-methoxy-2-methylanilino)methyl]phenol
CID 62867698
2-[(4-ethoxy-2-methylanilino)methyl]-4-methoxyphenol
CID 60935381
4-[(4-methoxy-2-methylanilino)methyl]benzene-1,2,3-triol
CID 103953018
4-methoxy-2-[(3-methoxy-2,4-dimethylanilino)methyl]phenol
CID 43738907
N-[(4-chloro-2-methylphenyl)methyl]-2,4-dimethoxyaniline
CID 104853998
2-[(2,6-difluoro-3-methylanilino)methyl]-4-methoxyphenol
CID 82815902
2-[(5-bromo-2-fluoroanilino)methyl]-4-methoxyphenol
CID 43555227
4-[(5-chloro-2-hydroxyphenyl)methylamino]-3-methylbenzoic acid
CID 43736136
2,6-dichloro-4-[(2-hydroxy-5-methoxyphenyl)methylamino]phenol
CID 107678999
2-[(2-bromo-5-methylanilino)methyl]-4-methoxyphenol
CID 82761742
N-(4-chloro-2-methylphenyl)-4-methoxy-2-methylaniline
CID 139611066
2-[[(2-chloro-4-methyl-3-pyridinyl)amino]methyl]-4-methoxyphenol
CID 65484698

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-methylanilino)methyl]-4-methoxyphenol?
The IUPAC name of 2-[(4-chloro-2-methylanilino)methyl]-4-methoxyphenol (CID 28622648) is 2-[(4-chloro-2-methylanilino)methyl]-4-methoxyphenol.
What is the SMILES notation for 2-[(4-chloro-2-methylanilino)methyl]-4-methoxyphenol?
The canonical SMILES for 2-[(4-chloro-2-methylanilino)methyl]-4-methoxyphenol is COc1ccc(O)c(CNc2ccc(Cl)cc2C)c1.
What is the InChIKey of 2-[(4-chloro-2-methylanilino)methyl]-4-methoxyphenol?
The InChIKey is NMUJSZDNVQDBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-10-7-12(16)3-5-14(10)17-9-11-8-13(19-2)4-6-15(11)18/h3-8,17-18H,9H2,1-2H3.
What are the key properties of 2-[(4-chloro-2-methylanilino)methyl]-4-methoxyphenol?
2-[(4-chloro-2-methylanilino)methyl]-4-methoxyphenol 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 2-[(4-chloro-2-methylanilino)methyl]-4-methoxyphenol is sourced from PubChem (CID 28622648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).