2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methoxy]aniline

C16H19N3O — CID 82487970

IUPAC2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methoxy]aniline
SMILESCc1nc(COc2ccccc2N)nc2c1CCCC2
InChIInChI=1S/C16H19N3O/c1-11-12-6-2-4-8-14(12)19-16(18-11)10-20-15-9-5-3-7-13(15)17/h3,5,7,9H,2,4,6,8,10,17H2,1H3
InChIKeyKNYODMCAGRORQW-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.83
Rot. Bonds3

About 2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methoxy]aniline

2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methoxy]aniline (PubChem CID 82487970) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methoxy]aniline.

Molecular Properties

Compound Name2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methoxy]aniline
PubChem CID82487970
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methoxy]aniline
SMILESCc1nc(COc2ccccc2N)nc2c1CCCC2
InChIInChI=1S/C16H19N3O/c1-11-12-6-2-4-8-14(12)19-16(18-11)10-20-15-9-5-3-7-13(15)17/h3,5,7,9H,2,4,6,8,10,17H2,1H3
InChIKeyKNYODMCAGRORQW-UHFFFAOYSA-N
XLogP2.83
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1-phenoxypropan-2-amine
CID 50981206
2-[(2-aminophenoxy)methyl]quinazolin-4-amine
CID 61026770
2-[(1-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methoxy]aniline
CID 82479548
2-[(2,5-dimethyl-1,2,4-triazol-3-yl)methoxy]aniline
CID 63746223
2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethanamine;dihydrochloride
CID 75530624
2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]aniline
CID 61026773
[2-(phenoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 62716893
2-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)pyrimidin-5-amine
CID 82299255
2-(2-ethoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63351905
2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethoxy]aniline
CID 82478565
2-(2-methylphenoxy)acetic acid;1,2,3,4-tetrahydroacridin-9-amine
CID 51072137
2-[[7-[(2-aminophenoxy)methyl]naphthalen-2-yl]methoxy]aniline
CID 139627675

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methoxy]aniline?
The IUPAC name of 2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methoxy]aniline (CID 82487970) is 2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methoxy]aniline.
What is the SMILES notation for 2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methoxy]aniline?
The canonical SMILES for 2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methoxy]aniline is Cc1nc(COc2ccccc2N)nc2c1CCCC2.
What is the InChIKey of 2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methoxy]aniline?
The InChIKey is KNYODMCAGRORQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11-12-6-2-4-8-14(12)19-16(18-11)10-20-15-9-5-3-7-13(15)17/h3,5,7,9H,2,4,6,8,10,17H2,1H3.
What are the key properties of 2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methoxy]aniline?
2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methoxy]aniline has a molecular weight of 269.35 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methoxy]aniline is sourced from PubChem (CID 82487970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).