3-[[ethyl(3-phenylprop-2-ynyl)amino]methyl]phenol

C18H19NO — CID 139688349

IUPAC3-[[ethyl(3-phenylprop-2-ynyl)amino]methyl]phenol
SMILESCCN(CC#Cc1ccccc1)Cc1cccc(O)c1
InChIInChI=1S/C18H19NO/c1-2-19(15-17-10-6-12-18(20)14-17)13-7-11-16-8-4-3-5-9-16/h3-6,8-10,12,14,20H,2,13,15H2,1H3
InChIKeyUKTDSTWECBEXMN-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.27
Rot. Bonds4

About 3-[[ethyl(3-phenylprop-2-ynyl)amino]methyl]phenol

3-[[ethyl(3-phenylprop-2-ynyl)amino]methyl]phenol (PubChem CID 139688349) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-[[ethyl(3-phenylprop-2-ynyl)amino]methyl]phenol.

Molecular Properties

Compound Name3-[[ethyl(3-phenylprop-2-ynyl)amino]methyl]phenol
PubChem CID139688349
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name3-[[ethyl(3-phenylprop-2-ynyl)amino]methyl]phenol
SMILESCCN(CC#Cc1ccccc1)Cc1cccc(O)c1
InChIInChI=1S/C18H19NO/c1-2-19(15-17-10-6-12-18(20)14-17)13-7-11-16-8-4-3-5-9-16/h3-6,8-10,12,14,20H,2,13,15H2,1H3
InChIKeyUKTDSTWECBEXMN-UHFFFAOYSA-N
XLogP3.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[3-(3-chlorophenyl)prop-2-ynyl-propylamino]methyl]phenol
CID 139688363
3-[3-[(3-hydroxyphenyl)methyl-propylamino]prop-1-ynyl]benzaldehyde
CID 139688367
N-ethyl-3-phenyl-N-[[3-[(2-thiophen-3-ylphenyl)methoxy]phenyl]methyl]prop-2-yn-1-amine
CID 139688352
4-[3-(diethylaminomethyl)phenyl]but-3-yn-1-ol
CID 54969736
N-ethyl-3-phenyl-N-[[3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]prop-2-yn-1-amine
CID 139688350
N-benzyl-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-yn-1-amine
CID 102502892
3-[[[(E)-3-chloroprop-2-enyl]-ethylamino]methyl]phenol
CID 10376384
methyl 3-[ethyl(3-phenylprop-2-ynyl)amino]propanoate
CID 62339712
N,N-diethyl-3-(3-methylphenyl)prop-2-yn-1-amine;hydrochloride
CID 45127578
N'-benzyl-N'-(3-phenylprop-2-ynyl)propane-1,3-diamine
CID 107366878
3-[[(3-hydroxyphenyl)methyl-methylamino]methyl]phenol
CID 22070428
2-[3-[[benzyl(ethyl)amino]methyl]phenyl]acetonitrile
CID 82135629

Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl(3-phenylprop-2-ynyl)amino]methyl]phenol?
The IUPAC name of 3-[[ethyl(3-phenylprop-2-ynyl)amino]methyl]phenol (CID 139688349) is 3-[[ethyl(3-phenylprop-2-ynyl)amino]methyl]phenol.
What is the SMILES notation for 3-[[ethyl(3-phenylprop-2-ynyl)amino]methyl]phenol?
The canonical SMILES for 3-[[ethyl(3-phenylprop-2-ynyl)amino]methyl]phenol is CCN(CC#Cc1ccccc1)Cc1cccc(O)c1.
What is the InChIKey of 3-[[ethyl(3-phenylprop-2-ynyl)amino]methyl]phenol?
The InChIKey is UKTDSTWECBEXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-2-19(15-17-10-6-12-18(20)14-17)13-7-11-16-8-4-3-5-9-16/h3-6,8-10,12,14,20H,2,13,15H2,1H3.
What are the key properties of 3-[[ethyl(3-phenylprop-2-ynyl)amino]methyl]phenol?
3-[[ethyl(3-phenylprop-2-ynyl)amino]methyl]phenol has a molecular weight of 265.36 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl(3-phenylprop-2-ynyl)amino]methyl]phenol is sourced from PubChem (CID 139688349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).