1-[4-(2-morpholin-4-ylethoxy)phenyl]-3-phenylprop-2-yn-1-amine

C21H24N2O2 — CID 118384318

IUPAC1-[4-(2-morpholin-4-ylethoxy)phenyl]-3-phenylprop-2-yn-1-amine
SMILESNC(C#Cc1ccccc1)c1ccc(OCCN2CCOCC2)cc1
InChIInChI=1S/C21H24N2O2/c22-21(11-6-18-4-2-1-3-5-18)19-7-9-20(10-8-19)25-17-14-23-12-15-24-16-13-23/h1-5,7-10,21H,12-17,22H2
InChIKeyAWAMYQUUYVYVNW-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.45
Rot. Bonds5

About 1-[4-(2-morpholin-4-ylethoxy)phenyl]-3-phenylprop-2-yn-1-amine

1-[4-(2-morpholin-4-ylethoxy)phenyl]-3-phenylprop-2-yn-1-amine (PubChem CID 118384318) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-[4-(2-morpholin-4-ylethoxy)phenyl]-3-phenylprop-2-yn-1-amine.

Molecular Properties

Compound Name1-[4-(2-morpholin-4-ylethoxy)phenyl]-3-phenylprop-2-yn-1-amine
PubChem CID118384318
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name1-[4-(2-morpholin-4-ylethoxy)phenyl]-3-phenylprop-2-yn-1-amine
SMILESNC(C#Cc1ccccc1)c1ccc(OCCN2CCOCC2)cc1
InChIInChI=1S/C21H24N2O2/c22-21(11-6-18-4-2-1-3-5-18)19-7-9-20(10-8-19)25-17-14-23-12-15-24-16-13-23/h1-5,7-10,21H,12-17,22H2
InChIKeyAWAMYQUUYVYVNW-UHFFFAOYSA-N
XLogP2.45
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[4-(2-morpholin-4-ylethoxy)phenyl]-3-phenylprop-2-yn-1-amine 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

4-[2-[4-(4-phenylbut-3-yn-2-yl)phenoxy]ethyl]morpholine
CID 118384322
4-(2-morpholin-4-ylethoxy)aniline;hydrochloride
CID 89422137
1-[4-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 43503698
4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]morpholine
CID 803266
4-[2-(4-ethynylphenoxy)ethyl]morpholine
CID 58608139
4-[2-[4-[1-(4-chlorophenyl)ethyl]phenoxy]ethyl]morpholine
CID 58923289
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
4-(2-morpholin-4-ylethoxy)benzaldehyde;hydrochloride
CID 23117912
N-ethyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]propan-1-amine
CID 60888208
4-(2-morpholin-4-ylethoxy)benzamide
CID 35813066
4-[(1R)-1-(4-methoxyphenyl)-3-phenylprop-2-ynyl]morpholine
CID 869202
aniline;2-methoxy-4-(2-morpholin-4-ylethoxy)aniline
CID 68685508

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-morpholin-4-ylethoxy)phenyl]-3-phenylprop-2-yn-1-amine?
The IUPAC name of 1-[4-(2-morpholin-4-ylethoxy)phenyl]-3-phenylprop-2-yn-1-amine (CID 118384318) is 1-[4-(2-morpholin-4-ylethoxy)phenyl]-3-phenylprop-2-yn-1-amine.
What is the SMILES notation for 1-[4-(2-morpholin-4-ylethoxy)phenyl]-3-phenylprop-2-yn-1-amine?
The canonical SMILES for 1-[4-(2-morpholin-4-ylethoxy)phenyl]-3-phenylprop-2-yn-1-amine is NC(C#Cc1ccccc1)c1ccc(OCCN2CCOCC2)cc1.
What is the InChIKey of 1-[4-(2-morpholin-4-ylethoxy)phenyl]-3-phenylprop-2-yn-1-amine?
The InChIKey is AWAMYQUUYVYVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c22-21(11-6-18-4-2-1-3-5-18)19-7-9-20(10-8-19)25-17-14-23-12-15-24-16-13-23/h1-5,7-10,21H,12-17,22H2.
What are the key properties of 1-[4-(2-morpholin-4-ylethoxy)phenyl]-3-phenylprop-2-yn-1-amine?
1-[4-(2-morpholin-4-ylethoxy)phenyl]-3-phenylprop-2-yn-1-amine has a molecular weight of 336.44 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-morpholin-4-ylethoxy)phenyl]-3-phenylprop-2-yn-1-amine is sourced from PubChem (CID 118384318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).