2-(2-ethylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine

C17H21N3 — CID 62391586

IUPAC2-(2-ethylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCCc1ccccc1-c1nc2c(c(NC)n1)CCCC2
InChIInChI=1S/C17H21N3/c1-3-12-8-4-5-9-13(12)17-19-15-11-7-6-10-14(15)16(18-2)20-17/h4-5,8-9H,3,6-7,10-11H2,1-2H3,(H,18,19,20)
InChIKeyUSGPYJOVIKKFKS-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.63
Rot. Bonds3

About 2-(2-ethylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine

2-(2-ethylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 62391586) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-(2-ethylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name2-(2-ethylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID62391586
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name2-(2-ethylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCCc1ccccc1-c1nc2c(c(NC)n1)CCCC2
InChIInChI=1S/C17H21N3/c1-3-12-8-4-5-9-13(12)17-19-15-11-7-6-10-14(15)16(18-2)20-17/h4-5,8-9H,3,6-7,10-11H2,1-2H3,(H,18,19,20)
InChIKeyUSGPYJOVIKKFKS-UHFFFAOYSA-N
XLogP3.63
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 2-(2-ethylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine (CID 62391586) is 2-(2-ethylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 2-(2-ethylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 2-(2-ethylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine is CCc1ccccc1-c1nc2c(c(NC)n1)CCCC2.
What is the InChIKey of 2-(2-ethylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is USGPYJOVIKKFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-3-12-8-4-5-9-13(12)17-19-15-11-7-6-10-14(15)16(18-2)20-17/h4-5,8-9H,3,6-7,10-11H2,1-2H3,(H,18,19,20).
What are the key properties of 2-(2-ethylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
2-(2-ethylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 267.38 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 62391586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).