2-[1-[1-(4-ethylphenyl)ethylamino]ethyl]phenol

C18H23NO — CID 43684152

IUPAC2-[1-[1-(4-ethylphenyl)ethylamino]ethyl]phenol
SMILESCCc1ccc(C(C)NC(C)c2ccccc2O)cc1
InChIInChI=1S/C18H23NO/c1-4-15-9-11-16(12-10-15)13(2)19-14(3)17-7-5-6-8-18(17)20/h5-14,19-20H,4H2,1-3H3
InChIKeyMQVORMRKWIMTEA-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.37
Rot. Bonds5

About 2-[1-[1-(4-ethylphenyl)ethylamino]ethyl]phenol

2-[1-[1-(4-ethylphenyl)ethylamino]ethyl]phenol (PubChem CID 43684152) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[1-[1-(4-ethylphenyl)ethylamino]ethyl]phenol.

Molecular Properties

Compound Name2-[1-[1-(4-ethylphenyl)ethylamino]ethyl]phenol
PubChem CID43684152
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-[1-[1-(4-ethylphenyl)ethylamino]ethyl]phenol
SMILESCCc1ccc(C(C)NC(C)c2ccccc2O)cc1
InChIInChI=1S/C18H23NO/c1-4-15-9-11-16(12-10-15)13(2)19-14(3)17-7-5-6-8-18(17)20/h5-14,19-20H,4H2,1-3H3
InChIKeyMQVORMRKWIMTEA-UHFFFAOYSA-N
XLogP4.37
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 ≤ 54.37
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-[1-[1-(4-ethylphenyl)ethylamino]ethyl]-5-fluorophenol
CID 63065853
2-[1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]ethyl]phenol
CID 81347161
2-[1-(1-phenylethylamino)propyl]phenol
CID 43189917
2-[1-[[(1S)-1-(4-methylphenyl)ethyl]amino]propyl]phenol
CID 81356961
1-(4-ethylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamine
CID 81409318
2-[1-[1-(4-fluorophenyl)ethylamino]propyl]phenol
CID 43201977
N-[(1R)-1-(2-bromophenyl)ethyl]-1-(4-ethylphenyl)propan-1-amine
CID 81378982
2-[[(1R)-1-(2-hydroxyphenyl)ethyl]amino]propane-1,3-diol
CID 96979742
4-fluoro-2-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenol
CID 81350470
5-fluoro-2-[1-(1-phenylethylamino)ethyl]phenol
CID 55148602
2-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]phenol
CID 81407326
2-[1-[[(1S)-1-(3-bromophenyl)ethyl]amino]ethyl]phenol
CID 81381845

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(4-ethylphenyl)ethylamino]ethyl]phenol?
The IUPAC name of 2-[1-[1-(4-ethylphenyl)ethylamino]ethyl]phenol (CID 43684152) is 2-[1-[1-(4-ethylphenyl)ethylamino]ethyl]phenol.
What is the SMILES notation for 2-[1-[1-(4-ethylphenyl)ethylamino]ethyl]phenol?
The canonical SMILES for 2-[1-[1-(4-ethylphenyl)ethylamino]ethyl]phenol is CCc1ccc(C(C)NC(C)c2ccccc2O)cc1.
What is the InChIKey of 2-[1-[1-(4-ethylphenyl)ethylamino]ethyl]phenol?
The InChIKey is MQVORMRKWIMTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-4-15-9-11-16(12-10-15)13(2)19-14(3)17-7-5-6-8-18(17)20/h5-14,19-20H,4H2,1-3H3.
What are the key properties of 2-[1-[1-(4-ethylphenyl)ethylamino]ethyl]phenol?
2-[1-[1-(4-ethylphenyl)ethylamino]ethyl]phenol has a molecular weight of 269.39 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(4-ethylphenyl)ethylamino]ethyl]phenol is sourced from PubChem (CID 43684152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).