2-[4-(5,6,7,8-tetrahydroquinazolin-2-yl)phenoxy]ethanamine

C16H19N3O — CID 82487974

IUPAC2-[4-(5,6,7,8-tetrahydroquinazolin-2-yl)phenoxy]ethanamine
SMILESNCCOc1ccc(-c2ncc3c(n2)CCCC3)cc1
InChIInChI=1S/C16H19N3O/c17-9-10-20-14-7-5-12(6-8-14)16-18-11-13-3-1-2-4-15(13)19-16/h5-8,11H,1-4,9-10,17H2
InChIKeyLKWTVGMSLHWDLZ-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.36
Rot. Bonds4

About 2-[4-(5,6,7,8-tetrahydroquinazolin-2-yl)phenoxy]ethanamine

2-[4-(5,6,7,8-tetrahydroquinazolin-2-yl)phenoxy]ethanamine (PubChem CID 82487974) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-[4-(5,6,7,8-tetrahydroquinazolin-2-yl)phenoxy]ethanamine.

Molecular Properties

Compound Name2-[4-(5,6,7,8-tetrahydroquinazolin-2-yl)phenoxy]ethanamine
PubChem CID82487974
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-[4-(5,6,7,8-tetrahydroquinazolin-2-yl)phenoxy]ethanamine
SMILESNCCOc1ccc(-c2ncc3c(n2)CCCC3)cc1
InChIInChI=1S/C16H19N3O/c17-9-10-20-14-7-5-12(6-8-14)16-18-11-13-3-1-2-4-15(13)19-16/h5-8,11H,1-4,9-10,17H2
InChIKeyLKWTVGMSLHWDLZ-UHFFFAOYSA-N
XLogP2.36
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)phenoxy]ethanamine
CID 82482276
[2-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 81423982
5,6,7,8-tetrahydroquinazolin-2-ylmethanamine
CID 55265501
2-[4-(2-aminoethoxy)phenoxy]ethanamine;dihydrochloride
CID 46786149
[2-(4-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 62495287
[2-(4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 81424046
2-(4-methoxyphenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 62009261
2-(2-aminoethoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 62347989
2-(4-chlorophenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 115006280
N-methyl-2-(4-propoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62496442
2-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 177049801
N-ethyl-2-(4-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 53147131

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5,6,7,8-tetrahydroquinazolin-2-yl)phenoxy]ethanamine?
The IUPAC name of 2-[4-(5,6,7,8-tetrahydroquinazolin-2-yl)phenoxy]ethanamine (CID 82487974) is 2-[4-(5,6,7,8-tetrahydroquinazolin-2-yl)phenoxy]ethanamine.
What is the SMILES notation for 2-[4-(5,6,7,8-tetrahydroquinazolin-2-yl)phenoxy]ethanamine?
The canonical SMILES for 2-[4-(5,6,7,8-tetrahydroquinazolin-2-yl)phenoxy]ethanamine is NCCOc1ccc(-c2ncc3c(n2)CCCC3)cc1.
What is the InChIKey of 2-[4-(5,6,7,8-tetrahydroquinazolin-2-yl)phenoxy]ethanamine?
The InChIKey is LKWTVGMSLHWDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c17-9-10-20-14-7-5-12(6-8-14)16-18-11-13-3-1-2-4-15(13)19-16/h5-8,11H,1-4,9-10,17H2.
What are the key properties of 2-[4-(5,6,7,8-tetrahydroquinazolin-2-yl)phenoxy]ethanamine?
2-[4-(5,6,7,8-tetrahydroquinazolin-2-yl)phenoxy]ethanamine has a molecular weight of 269.35 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5,6,7,8-tetrahydroquinazolin-2-yl)phenoxy]ethanamine is sourced from PubChem (CID 82487974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).