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

C19H25N3O — CID 127031596

IUPACN,N-dimethyl-3-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]propan-1-amine
SMILESCN(C)CCCOc1nc(-c2ccccc2)nc2c1CCCC2
InChIInChI=1S/C19H25N3O/c1-22(2)13-8-14-23-19-16-11-6-7-12-17(16)20-18(21-19)15-9-4-3-5-10-15/h3-5,9-10H,6-8,11-14H2,1-2H3
InChIKeyCOEAUKQAMJEJON-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.35
Rot. Bonds6

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

N,N-dimethyl-3-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]propan-1-amine (PubChem CID 127031596) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N,N-dimethyl-3-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]propan-1-amine
PubChem CID127031596
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN,N-dimethyl-3-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]propan-1-amine
SMILESCN(C)CCCOc1nc(-c2ccccc2)nc2c1CCCC2
InChIInChI=1S/C19H25N3O/c1-22(2)13-8-14-23-19-16-11-6-7-12-17(16)20-18(21-19)15-9-4-3-5-10-15/h3-5,9-10H,6-8,11-14H2,1-2H3
InChIKeyCOEAUKQAMJEJON-UHFFFAOYSA-N
XLogP3.35
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]propan-1-amine (CID 127031596) is N,N-dimethyl-3-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]propan-1-amine is CN(C)CCCOc1nc(-c2ccccc2)nc2c1CCCC2.
What is the InChIKey of N,N-dimethyl-3-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]propan-1-amine?
The InChIKey is COEAUKQAMJEJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-22(2)13-8-14-23-19-16-11-6-7-12-17(16)20-18(21-19)15-9-4-3-5-10-15/h3-5,9-10H,6-8,11-14H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]propan-1-amine?
N,N-dimethyl-3-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]propan-1-amine has a molecular weight of 311.43 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(2-phenyl-5,6,7,8-tetrahydroquinazolin-4-yl)oxy]propan-1-amine is sourced from PubChem (CID 127031596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).