2-[2-(2-hydroxy-N,5-dimethylanilino)ethyl-methylamino]-4-methylphenol

C18H24N2O2 — CID 102264381

IUPAC2-[2-(2-hydroxy-N,5-dimethylanilino)ethyl-methylamino]-4-methylphenol
SMILESCc1ccc(O)c(N(C)CCN(C)c2cc(C)ccc2O)c1
InChIInChI=1S/C18H24N2O2/c1-13-5-7-17(21)15(11-13)19(3)9-10-20(4)16-12-14(2)6-8-18(16)22/h5-8,11-12,21-22H,9-10H2,1-4H3
InChIKeyKCALHJJYGKAZMO-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.29
Rot. Bonds5

About 2-[2-(2-hydroxy-N,5-dimethylanilino)ethyl-methylamino]-4-methylphenol

2-[2-(2-hydroxy-N,5-dimethylanilino)ethyl-methylamino]-4-methylphenol (PubChem CID 102264381) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-[2-(2-hydroxy-N,5-dimethylanilino)ethyl-methylamino]-4-methylphenol.

Molecular Properties

Compound Name2-[2-(2-hydroxy-N,5-dimethylanilino)ethyl-methylamino]-4-methylphenol
PubChem CID102264381
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name2-[2-(2-hydroxy-N,5-dimethylanilino)ethyl-methylamino]-4-methylphenol
SMILESCc1ccc(O)c(N(C)CCN(C)c2cc(C)ccc2O)c1
InChIInChI=1S/C18H24N2O2/c1-13-5-7-17(21)15(11-13)19(3)9-10-20(4)16-12-14(2)6-8-18(16)22/h5-8,11-12,21-22H,9-10H2,1-4H3
InChIKeyKCALHJJYGKAZMO-UHFFFAOYSA-N
XLogP3.29
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(N,2,5-trimethylanilino)propan-2-ol
CID 82112048
4-methyl-2-[methyl(nonan-5-yl)amino]phenol
CID 140988697
2,4-dimethylphenol
CID 67713801
bis(4-methylbenzene-1,2-diol);zirconium
CID 23558294
CID 175892141
CID 175892141
CID 172763014
CID 172763014
2,4-dimethylphenol;yttrium
CID 87733318
(E)-4-(N,2,5-trimethylanilino)but-2-enoic acid
CID 115236953
2-[butyl(methyl)amino]-4-methylbenzoic acid
CID 62701140
4-[(N,2,4-trimethylanilino)methyl]phenol
CID 82972802
1-N,4-dimethyl-1-N-(2-methylsulfanylethyl)benzene-1,2-diamine
CID 112656745
N'-(2-chloro-4-methylphenyl)-N-ethyl-N,N'-dimethylethane-1,2-diamine
CID 142350890

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxy-N,5-dimethylanilino)ethyl-methylamino]-4-methylphenol?
The IUPAC name of 2-[2-(2-hydroxy-N,5-dimethylanilino)ethyl-methylamino]-4-methylphenol (CID 102264381) is 2-[2-(2-hydroxy-N,5-dimethylanilino)ethyl-methylamino]-4-methylphenol.
What is the SMILES notation for 2-[2-(2-hydroxy-N,5-dimethylanilino)ethyl-methylamino]-4-methylphenol?
The canonical SMILES for 2-[2-(2-hydroxy-N,5-dimethylanilino)ethyl-methylamino]-4-methylphenol is Cc1ccc(O)c(N(C)CCN(C)c2cc(C)ccc2O)c1.
What is the InChIKey of 2-[2-(2-hydroxy-N,5-dimethylanilino)ethyl-methylamino]-4-methylphenol?
The InChIKey is KCALHJJYGKAZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-13-5-7-17(21)15(11-13)19(3)9-10-20(4)16-12-14(2)6-8-18(16)22/h5-8,11-12,21-22H,9-10H2,1-4H3.
What are the key properties of 2-[2-(2-hydroxy-N,5-dimethylanilino)ethyl-methylamino]-4-methylphenol?
2-[2-(2-hydroxy-N,5-dimethylanilino)ethyl-methylamino]-4-methylphenol has a molecular weight of 300.40 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxy-N,5-dimethylanilino)ethyl-methylamino]-4-methylphenol is sourced from PubChem (CID 102264381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).