2-[1-(N-ethyl-3-methylanilino)ethyl]-4-methylphenol

C18H23NO — CID 82982263

IUPAC2-[1-(N-ethyl-3-methylanilino)ethyl]-4-methylphenol
SMILESCCN(c1cccc(C)c1)C(C)c1cc(C)ccc1O
InChIInChI=1S/C18H23NO/c1-5-19(16-8-6-7-13(2)11-16)15(4)17-12-14(3)9-10-18(17)20/h6-12,15,20H,5H2,1-4H3
InChIKeyPVNBWQDGHIGXBL-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.60
Rot. Bonds4

About 2-[1-(N-ethyl-3-methylanilino)ethyl]-4-methylphenol

2-[1-(N-ethyl-3-methylanilino)ethyl]-4-methylphenol (PubChem CID 82982263) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[1-(N-ethyl-3-methylanilino)ethyl]-4-methylphenol.

Molecular Properties

Compound Name2-[1-(N-ethyl-3-methylanilino)ethyl]-4-methylphenol
PubChem CID82982263
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-[1-(N-ethyl-3-methylanilino)ethyl]-4-methylphenol
SMILESCCN(c1cccc(C)c1)C(C)c1cc(C)ccc1O
InChIInChI=1S/C18H23NO/c1-5-19(16-8-6-7-13(2)11-16)15(4)17-12-14(3)9-10-18(17)20/h6-12,15,20H,5H2,1-4H3
InChIKeyPVNBWQDGHIGXBL-UHFFFAOYSA-N
XLogP4.60
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(N-ethyl-3-methylanilino)ethyl]phenol
CID 82981948
4-chloro-2-[1-(N-ethyl-3-methylanilino)ethyl]phenol
CID 82982643
2-[1-(N,3-dimethylanilino)ethyl]-4-methylphenol
CID 82978827
2-[1-(N-ethyl-3-fluoroanilino)ethyl]phenol
CID 82981672
1-(N-ethyl-3-methylanilino)propan-1-ol
CID 21331015
N-ethyl-3-methyl-N-[1-(4-methylphenoxy)ethyl]aniline
CID 70632774
N-[1-(N-ethyl-3-methylanilino)ethyl]methanesulfonamide
CID 101321416
N-ethyl-3-methyl-N-[1-(2-methylphenoxy)ethyl]aniline
CID 70633322
N-ethyl-3-methyl-N-(1-phenoxyethyl)aniline
CID 21484944
2-N-ethyl-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)butane-1,2-diamine
CID 55195045
4-methyl-2-[1-[2-methylpropyl(propan-2-yl)amino]ethyl]phenol
CID 82985809
1-N,2-N-diethyl-2-N-(3-methylphenyl)butane-1,2-diamine
CID 62427810

Frequently Asked Questions

What is the IUPAC name of 2-[1-(N-ethyl-3-methylanilino)ethyl]-4-methylphenol?
The IUPAC name of 2-[1-(N-ethyl-3-methylanilino)ethyl]-4-methylphenol (CID 82982263) is 2-[1-(N-ethyl-3-methylanilino)ethyl]-4-methylphenol.
What is the SMILES notation for 2-[1-(N-ethyl-3-methylanilino)ethyl]-4-methylphenol?
The canonical SMILES for 2-[1-(N-ethyl-3-methylanilino)ethyl]-4-methylphenol is CCN(c1cccc(C)c1)C(C)c1cc(C)ccc1O.
What is the InChIKey of 2-[1-(N-ethyl-3-methylanilino)ethyl]-4-methylphenol?
The InChIKey is PVNBWQDGHIGXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-5-19(16-8-6-7-13(2)11-16)15(4)17-12-14(3)9-10-18(17)20/h6-12,15,20H,5H2,1-4H3.
What are the key properties of 2-[1-(N-ethyl-3-methylanilino)ethyl]-4-methylphenol?
2-[1-(N-ethyl-3-methylanilino)ethyl]-4-methylphenol has a molecular weight of 269.39 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(N-ethyl-3-methylanilino)ethyl]-4-methylphenol is sourced from PubChem (CID 82982263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).