2-(3-ethoxyphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine

C17H21N3O — CID 62009283

IUPAC2-(3-ethoxyphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCCOc1cccc(-c2ncc3c(n2)CCCC3NC)c1
InChIInChI=1S/C17H21N3O/c1-3-21-13-7-4-6-12(10-13)17-19-11-14-15(18-2)8-5-9-16(14)20-17/h4,6-7,10-11,15,18H,3,5,8-9H2,1-2H3
InChIKeyJQUPJERFEMTAHS-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.14
Rot. Bonds4

About 2-(3-ethoxyphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine

2-(3-ethoxyphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine (PubChem CID 62009283) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-(3-ethoxyphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine.

Molecular Properties

Compound Name2-(3-ethoxyphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine
PubChem CID62009283
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-(3-ethoxyphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCCOc1cccc(-c2ncc3c(n2)CCCC3NC)c1
InChIInChI=1S/C17H21N3O/c1-3-21-13-7-4-6-12(10-13)17-19-11-14-15(18-2)8-5-9-16(14)20-17/h4,6-7,10-11,15,18H,3,5,8-9H2,1-2H3
InChIKeyJQUPJERFEMTAHS-UHFFFAOYSA-N
XLogP3.14
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(3-methoxyphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62009305
N-methyl-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62009476
4-[5-(methylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]benzene-1,2-diol
CID 136889223
2-[4-(difluoromethyl)phenyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 115525196
2-(3-bromo-4-methylphenyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107915386
2-(3,4-dichlorophenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62008112
4-chloro-2-(3-ethoxyphenyl)-5,6,7,8-tetrahydroquinazoline
CID 61382229
N-methyl-2-(1-methylpyrazol-3-yl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 65197983
2-(4-bromo-2-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 103083722
2-(2-bromo-4-fluorophenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 107281363
N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62008486
N-methyl-2-pyrimidin-4-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385131

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine?
The IUPAC name of 2-(3-ethoxyphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine (CID 62009283) is 2-(3-ethoxyphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine.
What is the SMILES notation for 2-(3-ethoxyphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine?
The canonical SMILES for 2-(3-ethoxyphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine is CCOc1cccc(-c2ncc3c(n2)CCCC3NC)c1.
What is the InChIKey of 2-(3-ethoxyphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine?
The InChIKey is JQUPJERFEMTAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-3-21-13-7-4-6-12(10-13)17-19-11-14-15(18-2)8-5-9-16(14)20-17/h4,6-7,10-11,15,18H,3,5,8-9H2,1-2H3.
What are the key properties of 2-(3-ethoxyphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine?
2-(3-ethoxyphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine has a molecular weight of 283.38 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine is sourced from PubChem (CID 62009283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).