2-[(4-cyclohexylanilino)methyl]-6-methylphenol

C20H25NO — CID 122182722

IUPAC2-[(4-cyclohexylanilino)methyl]-6-methylphenol
SMILESCc1cccc(CNc2ccc(C3CCCCC3)cc2)c1O
InChIInChI=1S/C20H25NO/c1-15-6-5-9-18(20(15)22)14-21-19-12-10-17(11-13-19)16-7-3-2-4-8-16/h5-6,9-13,16,21-22H,2-4,7-8,14H2,1H3
InChIKeyNDIWSSSCLAIIAI-UHFFFAOYSA-N
MW295.43 g/mol
LogP5.36
Rot. Bonds4

About 2-[(4-cyclohexylanilino)methyl]-6-methylphenol

2-[(4-cyclohexylanilino)methyl]-6-methylphenol (PubChem CID 122182722) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-[(4-cyclohexylanilino)methyl]-6-methylphenol.

Molecular Properties

Compound Name2-[(4-cyclohexylanilino)methyl]-6-methylphenol
PubChem CID122182722
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name2-[(4-cyclohexylanilino)methyl]-6-methylphenol
SMILESCc1cccc(CNc2ccc(C3CCCCC3)cc2)c1O
InChIInChI=1S/C20H25NO/c1-15-6-5-9-18(20(15)22)14-21-19-12-10-17(11-13-19)16-7-3-2-4-8-16/h5-6,9-13,16,21-22H,2-4,7-8,14H2,1H3
InChIKeyNDIWSSSCLAIIAI-UHFFFAOYSA-N
XLogP5.36
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.43
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[[(1R,2R)-2-[(2-hydroxy-3-methylphenyl)methylamino]cyclohexyl]amino]methyl]-6-methylphenol
CID 90329687
2-[[4-(diethylamino)anilino]methyl]-6-methylphenol
CID 115904064
2-[[[(1S)-1-cyclohexylethyl]amino]methyl]-6-methylphenol
CID 113355725
2-methyl-6-[[4-methyl-3-(trifluoromethyl)anilino]methyl]phenol
CID 115951655
2-[(2-cyclopentylethylamino)methyl]-6-methylphenol
CID 112554008
N-[2-[(4-cyclohexylanilino)methyl]phenyl]-4-methylbenzenesulfonamide
CID 2175745
2-[(3-bromo-4-iodoanilino)methyl]-6-methylphenol
CID 114261908
2-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]-6-methylphenol
CID 112553810
2-methyl-6-[[4-(1,3,4-oxadiazol-2-yl)anilino]methyl]phenol
CID 115903751
2-[(2-cyclobutylethylamino)methyl]-6-methylphenol
CID 115908380
2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-6-methylphenol
CID 112554689
1-N,4-N-bis[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 102345817

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclohexylanilino)methyl]-6-methylphenol?
The IUPAC name of 2-[(4-cyclohexylanilino)methyl]-6-methylphenol (CID 122182722) is 2-[(4-cyclohexylanilino)methyl]-6-methylphenol.
What is the SMILES notation for 2-[(4-cyclohexylanilino)methyl]-6-methylphenol?
The canonical SMILES for 2-[(4-cyclohexylanilino)methyl]-6-methylphenol is Cc1cccc(CNc2ccc(C3CCCCC3)cc2)c1O.
What is the InChIKey of 2-[(4-cyclohexylanilino)methyl]-6-methylphenol?
The InChIKey is NDIWSSSCLAIIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-15-6-5-9-18(20(15)22)14-21-19-12-10-17(11-13-19)16-7-3-2-4-8-16/h5-6,9-13,16,21-22H,2-4,7-8,14H2,1H3.
What are the key properties of 2-[(4-cyclohexylanilino)methyl]-6-methylphenol?
2-[(4-cyclohexylanilino)methyl]-6-methylphenol has a molecular weight of 295.43 g/mol, XLogP of 5.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclohexylanilino)methyl]-6-methylphenol is sourced from PubChem (CID 122182722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).