2-[[1-(4-ethylphenyl)ethylamino]methyl]-4-methylphenol

C18H23NO — CID 63327164

IUPAC2-[[1-(4-ethylphenyl)ethylamino]methyl]-4-methylphenol
SMILESCCc1ccc(C(C)NCc2cc(C)ccc2O)cc1
InChIInChI=1S/C18H23NO/c1-4-15-6-8-16(9-7-15)14(3)19-12-17-11-13(2)5-10-18(17)20/h5-11,14,19-20H,4,12H2,1-3H3
InChIKeyAHRAOUIAAQQUTN-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.11
Rot. Bonds5

About 2-[[1-(4-ethylphenyl)ethylamino]methyl]-4-methylphenol

2-[[1-(4-ethylphenyl)ethylamino]methyl]-4-methylphenol (PubChem CID 63327164) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[[1-(4-ethylphenyl)ethylamino]methyl]-4-methylphenol.

Molecular Properties

Compound Name2-[[1-(4-ethylphenyl)ethylamino]methyl]-4-methylphenol
PubChem CID63327164
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-[[1-(4-ethylphenyl)ethylamino]methyl]-4-methylphenol
SMILESCCc1ccc(C(C)NCc2cc(C)ccc2O)cc1
InChIInChI=1S/C18H23NO/c1-4-15-6-8-16(9-7-15)14(3)19-12-17-11-13(2)5-10-18(17)20/h5-11,14,19-20H,4,12H2,1-3H3
InChIKeyAHRAOUIAAQQUTN-UHFFFAOYSA-N
XLogP4.11
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.11
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)-1-(4-methoxyphenyl)ethyl]amino]methyl]-4-methylphenol
CID 81371547
4-methyl-2-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]phenol
CID 81360761
(1R)-N-[(4-ethylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81350057
2-[[1-(3-hydroxyphenyl)ethylamino]methyl]-4-methylphenol
CID 63324815
1-(4-ethylphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
CID 43221514
4-[[[(1R)-1-phenylethyl]amino]methyl]-2-[[[(1S)-1-phenylethyl]amino]methyl]phenol
CID 71178152
2-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]-4-methylphenol
CID 63324555
4-methyl-2-[(3-methylbutan-2-ylamino)methyl]phenol
CID 63327011
2-[[[(2S)-1-hydroxypropan-2-yl]amino]methyl]-4-methylphenol
CID 95379080
4-fluoro-2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenol
CID 107694502
2-[[1-(4-bromophenyl)ethylamino]methyl]-4-fluorophenol
CID 103947939
4-methoxy-2-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol
CID 81368054

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-ethylphenyl)ethylamino]methyl]-4-methylphenol?
The IUPAC name of 2-[[1-(4-ethylphenyl)ethylamino]methyl]-4-methylphenol (CID 63327164) is 2-[[1-(4-ethylphenyl)ethylamino]methyl]-4-methylphenol.
What is the SMILES notation for 2-[[1-(4-ethylphenyl)ethylamino]methyl]-4-methylphenol?
The canonical SMILES for 2-[[1-(4-ethylphenyl)ethylamino]methyl]-4-methylphenol is CCc1ccc(C(C)NCc2cc(C)ccc2O)cc1.
What is the InChIKey of 2-[[1-(4-ethylphenyl)ethylamino]methyl]-4-methylphenol?
The InChIKey is AHRAOUIAAQQUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-4-15-6-8-16(9-7-15)14(3)19-12-17-11-13(2)5-10-18(17)20/h5-11,14,19-20H,4,12H2,1-3H3.
What are the key properties of 2-[[1-(4-ethylphenyl)ethylamino]methyl]-4-methylphenol?
2-[[1-(4-ethylphenyl)ethylamino]methyl]-4-methylphenol has a molecular weight of 269.39 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-ethylphenyl)ethylamino]methyl]-4-methylphenol is sourced from PubChem (CID 63327164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).