4-[1-(3-ethynylanilino)ethyl]phenol

C16H15NO — CID 43189626

IUPAC4-[1-(3-ethynylanilino)ethyl]phenol
SMILESC#Cc1cccc(NC(C)c2ccc(O)cc2)c1
InChIInChI=1S/C16H15NO/c1-3-13-5-4-6-15(11-13)17-12(2)14-7-9-16(18)10-8-14/h1,4-12,17-18H,2H3
InChIKeyUKSQIBXWCFSRMQ-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.55
Rot. Bonds3

About 4-[1-(3-ethynylanilino)ethyl]phenol

4-[1-(3-ethynylanilino)ethyl]phenol (PubChem CID 43189626) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-[1-(3-ethynylanilino)ethyl]phenol.

Molecular Properties

Compound Name4-[1-(3-ethynylanilino)ethyl]phenol
PubChem CID43189626
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name4-[1-(3-ethynylanilino)ethyl]phenol
SMILESC#Cc1cccc(NC(C)c2ccc(O)cc2)c1
InChIInChI=1S/C16H15NO/c1-3-13-5-4-6-15(11-13)17-12(2)14-7-9-16(18)10-8-14/h1,4-12,17-18H,2H3
InChIKeyUKSQIBXWCFSRMQ-UHFFFAOYSA-N
XLogP3.55
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-[1-(3-ethynylanilino)ethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethynyl-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43189639
3-ethynyl-N-[1-(4-propylphenyl)ethyl]aniline
CID 43101198
5-[1-(3-ethynylanilino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43200548
3-[1-(3-ethynylanilino)ethyl]benzenesulfonamide
CID 43755444
N-[1-(5-chlorothiophen-3-yl)ethyl]-3-ethynylaniline
CID 114082603
2-[1-(3-ethynylanilino)ethyl]-5-methoxyphenol
CID 43200553
3-ethynyl-N-(1-thiophen-2-ylethyl)aniline
CID 43189637
3-[1-(4-hydroxyphenyl)ethylamino]benzamide
CID 43202853
3-[1-(4-hydroxyphenyl)ethylamino]-N-methylbenzamide
CID 43202783
2-N-(3-ethynylphenyl)propane-1,2-diamine
CID 82503374
3-[1-(4-bromophenyl)ethylamino]phenol
CID 43206955
3-ethynyl-N-(4-propan-2-ylphenyl)aniline
CID 155290560

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-ethynylanilino)ethyl]phenol?
The IUPAC name of 4-[1-(3-ethynylanilino)ethyl]phenol (CID 43189626) is 4-[1-(3-ethynylanilino)ethyl]phenol.
What is the SMILES notation for 4-[1-(3-ethynylanilino)ethyl]phenol?
The canonical SMILES for 4-[1-(3-ethynylanilino)ethyl]phenol is C#Cc1cccc(NC(C)c2ccc(O)cc2)c1.
What is the InChIKey of 4-[1-(3-ethynylanilino)ethyl]phenol?
The InChIKey is UKSQIBXWCFSRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-3-13-5-4-6-15(11-13)17-12(2)14-7-9-16(18)10-8-14/h1,4-12,17-18H,2H3.
What are the key properties of 4-[1-(3-ethynylanilino)ethyl]phenol?
4-[1-(3-ethynylanilino)ethyl]phenol has a molecular weight of 237.30 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-ethynylanilino)ethyl]phenol is sourced from PubChem (CID 43189626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).