N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1-phenoxypropan-2-amine

C19H25N3O — CID 50981206

IUPACN-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1-phenoxypropan-2-amine
SMILESCc1nc(CNC(C)COc2ccccc2)nc2c1CCCC2
InChIInChI=1S/C19H25N3O/c1-14(13-23-16-8-4-3-5-9-16)20-12-19-21-15(2)17-10-6-7-11-18(17)22-19/h3-5,8-9,14,20H,6-7,10-13H2,1-2H3
InChIKeyBUNWDHBIRCWDJP-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.22
Rot. Bonds6

About N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1-phenoxypropan-2-amine

N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1-phenoxypropan-2-amine (PubChem CID 50981206) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1-phenoxypropan-2-amine.

Molecular Properties

Compound NameN-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1-phenoxypropan-2-amine
PubChem CID50981206
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1-phenoxypropan-2-amine
SMILESCc1nc(CNC(C)COc2ccccc2)nc2c1CCCC2
InChIInChI=1S/C19H25N3O/c1-14(13-23-16-8-4-3-5-9-16)20-12-19-21-15(2)17-10-6-7-11-18(17)22-19/h3-5,8-9,14,20H,6-7,10-13H2,1-2H3
InChIKeyBUNWDHBIRCWDJP-UHFFFAOYSA-N
XLogP3.22
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1-phenoxypropan-2-amine?
The IUPAC name of N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1-phenoxypropan-2-amine (CID 50981206) is N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1-phenoxypropan-2-amine.
What is the SMILES notation for N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1-phenoxypropan-2-amine?
The canonical SMILES for N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1-phenoxypropan-2-amine is Cc1nc(CNC(C)COc2ccccc2)nc2c1CCCC2.
What is the InChIKey of N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1-phenoxypropan-2-amine?
The InChIKey is BUNWDHBIRCWDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-14(13-23-16-8-4-3-5-9-16)20-12-19-21-15(2)17-10-6-7-11-18(17)22-19/h3-5,8-9,14,20H,6-7,10-13H2,1-2H3.
What are the key properties of N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1-phenoxypropan-2-amine?
N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1-phenoxypropan-2-amine has a molecular weight of 311.43 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1-phenoxypropan-2-amine is sourced from PubChem (CID 50981206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).