N,N-diethyl-3-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]propan-1-amine

C21H29N3O — CID 127032406

IUPACN,N-diethyl-3-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]propan-1-amine
SMILESCCN(CC)CCCOc1nc(-c2ccccc2)nc2c1CCCC2
InChIInChI=1S/C21H29N3O/c1-3-24(4-2)15-10-16-25-21-18-13-8-9-14-19(18)22-20(23-21)17-11-6-5-7-12-17/h5-7,11-12H,3-4,8-10,13-16H2,1-2H3
InChIKeyWTZIXIMXZZSROX-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.13
Rot. Bonds8

About N,N-diethyl-3-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]propan-1-amine

N,N-diethyl-3-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]propan-1-amine (PubChem CID 127032406) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is N,N-diethyl-3-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]propan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-3-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]propan-1-amine
PubChem CID127032406
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC NameN,N-diethyl-3-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]propan-1-amine
SMILESCCN(CC)CCCOc1nc(-c2ccccc2)nc2c1CCCC2
InChIInChI=1S/C21H29N3O/c1-3-24(4-2)15-10-16-25-21-18-13-8-9-14-19(18)22-20(23-21)17-11-6-5-7-12-17/h5-7,11-12H,3-4,8-10,13-16H2,1-2H3
InChIKeyWTZIXIMXZZSROX-UHFFFAOYSA-N
XLogP4.13
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,N-diethyl-3-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]propan-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

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]propan-1-amine?
The IUPAC name of N,N-diethyl-3-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]propan-1-amine (CID 127032406) is N,N-diethyl-3-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]propan-1-amine.
What is the SMILES notation for N,N-diethyl-3-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]propan-1-amine?
The canonical SMILES for N,N-diethyl-3-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]propan-1-amine is CCN(CC)CCCOc1nc(-c2ccccc2)nc2c1CCCC2.
What is the InChIKey of N,N-diethyl-3-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]propan-1-amine?
The InChIKey is WTZIXIMXZZSROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-3-24(4-2)15-10-16-25-21-18-13-8-9-14-19(18)22-20(23-21)17-11-6-5-7-12-17/h5-7,11-12H,3-4,8-10,13-16H2,1-2H3.
What are the key properties of N,N-diethyl-3-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]propan-1-amine?
N,N-diethyl-3-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]propan-1-amine has a molecular weight of 339.48 g/mol, XLogP of 4.13, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]propan-1-amine is sourced from PubChem (CID 127032406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).