4-[(5-chloro-2-methylanilino)methyl]-2,6-dimethylphenol

C16H18ClNO — CID 28932187

IUPAC4-[(5-chloro-2-methylanilino)methyl]-2,6-dimethylphenol
SMILESCc1ccc(Cl)cc1NCc1cc(C)c(O)c(C)c1
InChIInChI=1S/C16H18ClNO/c1-10-4-5-14(17)8-15(10)18-9-13-6-11(2)16(19)12(3)7-13/h4-8,18-19H,9H2,1-3H3
InChIKeyPPGGKUAWHQFBNJ-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.58
Rot. Bonds3

About 4-[(5-chloro-2-methylanilino)methyl]-2,6-dimethylphenol

4-[(5-chloro-2-methylanilino)methyl]-2,6-dimethylphenol (PubChem CID 28932187) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 4-[(5-chloro-2-methylanilino)methyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[(5-chloro-2-methylanilino)methyl]-2,6-dimethylphenol
PubChem CID28932187
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name4-[(5-chloro-2-methylanilino)methyl]-2,6-dimethylphenol
SMILESCc1ccc(Cl)cc1NCc1cc(C)c(O)c(C)c1
InChIInChI=1S/C16H18ClNO/c1-10-4-5-14(17)8-15(10)18-9-13-6-11(2)16(19)12(3)7-13/h4-8,18-19H,9H2,1-3H3
InChIKeyPPGGKUAWHQFBNJ-UHFFFAOYSA-N
XLogP4.58
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2,4-dichloroanilino)methyl]-2,6-dimethylphenol
CID 28932248
4-[(5-fluoro-2-methylanilino)methyl]-2,6-dimethylphenol
CID 28932344
5-chloro-N-[(3,5-dimethoxyphenyl)methyl]-2-methylaniline
CID 29040909
2,6-dichloro-4-[(2,5-dimethylanilino)methyl]phenol
CID 126125728
5-chloro-2-methyl-N-[(3-methylphenyl)methyl]aniline
CID 28553559
2,5-dichloro-N-[(3,4-dimethylphenyl)methyl]aniline
CID 43757200
N-[(3-bromo-4-chlorophenyl)methyl]-5-chloro-2-methylaniline
CID 83235718
2,6-dibromo-4-[(4-chloro-2-methylanilino)methyl]phenol
CID 107740487
N-[(3-aminophenyl)methyl]-5-chloro-2-methylaniline
CID 83960754
2,4-dibromo-6-[(5-chloro-2-methylanilino)methyl]phenol
CID 126121269
5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methylaniline
CID 29273451
3-[(3,5-dichlorophenyl)methylamino]-2,6-dimethylphenol
CID 60790057

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-methylanilino)methyl]-2,6-dimethylphenol?
The IUPAC name of 4-[(5-chloro-2-methylanilino)methyl]-2,6-dimethylphenol (CID 28932187) is 4-[(5-chloro-2-methylanilino)methyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[(5-chloro-2-methylanilino)methyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[(5-chloro-2-methylanilino)methyl]-2,6-dimethylphenol is Cc1ccc(Cl)cc1NCc1cc(C)c(O)c(C)c1.
What is the InChIKey of 4-[(5-chloro-2-methylanilino)methyl]-2,6-dimethylphenol?
The InChIKey is PPGGKUAWHQFBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-10-4-5-14(17)8-15(10)18-9-13-6-11(2)16(19)12(3)7-13/h4-8,18-19H,9H2,1-3H3.
What are the key properties of 4-[(5-chloro-2-methylanilino)methyl]-2,6-dimethylphenol?
4-[(5-chloro-2-methylanilino)methyl]-2,6-dimethylphenol has a molecular weight of 275.78 g/mol, XLogP of 4.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-methylanilino)methyl]-2,6-dimethylphenol is sourced from PubChem (CID 28932187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).