2-[[4-(diethylamino)anilino]methyl]-6-methylphenol

C18H24N2O — CID 115904064

IUPAC2-[[4-(diethylamino)anilino]methyl]-6-methylphenol
SMILESCCN(CC)c1ccc(NCc2cccc(C)c2O)cc1
InChIInChI=1S/C18H24N2O/c1-4-20(5-2)17-11-9-16(10-12-17)19-13-15-8-6-7-14(3)18(15)21/h6-12,19,21H,4-5,13H2,1-3H3
InChIKeyDVCMNBHGNSDSDN-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.16
Rot. Bonds6

About 2-[[4-(diethylamino)anilino]methyl]-6-methylphenol

2-[[4-(diethylamino)anilino]methyl]-6-methylphenol (PubChem CID 115904064) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[[4-(diethylamino)anilino]methyl]-6-methylphenol.

Molecular Properties

Compound Name2-[[4-(diethylamino)anilino]methyl]-6-methylphenol
PubChem CID115904064
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2-[[4-(diethylamino)anilino]methyl]-6-methylphenol
SMILESCCN(CC)c1ccc(NCc2cccc(C)c2O)cc1
InChIInChI=1S/C18H24N2O/c1-4-20(5-2)17-11-9-16(10-12-17)19-13-15-8-6-7-14(3)18(15)21/h6-12,19,21H,4-5,13H2,1-3H3
InChIKeyDVCMNBHGNSDSDN-UHFFFAOYSA-N
XLogP4.16
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(diethylamino)anilino]methyl]-4-methylphenol
CID 63326694
2-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]-6-methylphenol
CID 112553810
2-[(4-cyclohexylanilino)methyl]-6-methylphenol
CID 122182722
2-[4-(diethylamino)anilino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 109007808
3-[4-(diethylamino)anilino]-N-(2-ethyl-6-methylphenyl)propanamide
CID 109036621
2-[(3-bromo-4-iodoanilino)methyl]-6-methylphenol
CID 114261908
2-methyl-6-[[4-(1,3,4-oxadiazol-2-yl)anilino]methyl]phenol
CID 115903751
2-[N-ethyl-4-[(2-fluorophenyl)methylamino]anilino]ethanol
CID 60685335
4-N,4-N-diethyl-1-N-[(3-methylfuran-2-yl)methyl]benzene-1,4-diamine
CID 115742858
2-methyl-6-[(4-methyl-3-nitroanilino)methyl]phenol
CID 115951290
2-methyl-6-[[3-(1,2,4-triazol-4-yl)anilino]methyl]phenol
CID 115904248
2-[[4-(dimethylamino)anilino]methyl]-6-methoxyphenol
CID 43616982

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(diethylamino)anilino]methyl]-6-methylphenol?
The IUPAC name of 2-[[4-(diethylamino)anilino]methyl]-6-methylphenol (CID 115904064) is 2-[[4-(diethylamino)anilino]methyl]-6-methylphenol.
What is the SMILES notation for 2-[[4-(diethylamino)anilino]methyl]-6-methylphenol?
The canonical SMILES for 2-[[4-(diethylamino)anilino]methyl]-6-methylphenol is CCN(CC)c1ccc(NCc2cccc(C)c2O)cc1.
What is the InChIKey of 2-[[4-(diethylamino)anilino]methyl]-6-methylphenol?
The InChIKey is DVCMNBHGNSDSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-4-20(5-2)17-11-9-16(10-12-17)19-13-15-8-6-7-14(3)18(15)21/h6-12,19,21H,4-5,13H2,1-3H3.
What are the key properties of 2-[[4-(diethylamino)anilino]methyl]-6-methylphenol?
2-[[4-(diethylamino)anilino]methyl]-6-methylphenol has a molecular weight of 284.40 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(diethylamino)anilino]methyl]-6-methylphenol is sourced from PubChem (CID 115904064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).