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

C17H21N3 — CID 82487373

IUPAC2-methyl-5-[2-(5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]aniline
SMILESCc1ccc(CCc2ncc3c(n2)CCCC3)cc1N
InChIInChI=1S/C17H21N3/c1-12-6-7-13(10-15(12)18)8-9-17-19-11-14-4-2-3-5-16(14)20-17/h6-7,10-11H,2-5,8-9,18H2,1H3
InChIKeyVHOYAFDDPPAHDO-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.03
Rot. Bonds3

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

2-methyl-5-[2-(5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]aniline (PubChem CID 82487373) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-methyl-5-[2-(5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]aniline.

Molecular Properties

Compound Name2-methyl-5-[2-(5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]aniline
PubChem CID82487373
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name2-methyl-5-[2-(5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]aniline
SMILESCc1ccc(CCc2ncc3c(n2)CCCC3)cc1N
InChIInChI=1S/C17H21N3/c1-12-6-7-13(10-15(12)18)8-9-17-19-11-14-4-2-3-5-16(14)20-17/h6-7,10-11H,2-5,8-9,18H2,1H3
InChIKeyVHOYAFDDPPAHDO-UHFFFAOYSA-N
XLogP3.03
TPSA51.80 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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)propyl]aniline
CID 82481825
5,6,7,8-tetrahydroquinazolin-2-ylmethanamine
CID 55265501
3-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)propan-1-ol
CID 105459189
1-(5,6,7,8-tetrahydroquinazolin-2-yl)propan-2-amine
CID 105445499
2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)aniline
CID 82473451
5-(2-aminoethyl)-2-methylaniline
CID 58409288
2-chloro-5-[2-(4-methylpyrimidin-2-yl)ethyl]aniline
CID 82480085
2-methyl-5-[2-(3-methylphenyl)ethyl]aniline
CID 143291717
2-phenyl-1-(5,6,7,8-tetrahydroquinazolin-2-yl)ethanamine
CID 82481824
5-methyl-2-(2-phenylethyl)pyrimidin-4-amine
CID 11608193
5-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethyl]-2-fluoroaniline
CID 82479383
3-(3-amino-4-methylphenyl)propanoic acid
CID 46948732

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-(5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]aniline?
The IUPAC name of 2-methyl-5-[2-(5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]aniline (CID 82487373) is 2-methyl-5-[2-(5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]aniline.
What is the SMILES notation for 2-methyl-5-[2-(5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]aniline?
The canonical SMILES for 2-methyl-5-[2-(5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]aniline is Cc1ccc(CCc2ncc3c(n2)CCCC3)cc1N.
What is the InChIKey of 2-methyl-5-[2-(5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]aniline?
The InChIKey is VHOYAFDDPPAHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-12-6-7-13(10-15(12)18)8-9-17-19-11-14-4-2-3-5-16(14)20-17/h6-7,10-11H,2-5,8-9,18H2,1H3.
What are the key properties of 2-methyl-5-[2-(5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]aniline?
2-methyl-5-[2-(5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]aniline has a molecular weight of 267.38 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-(5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]aniline is sourced from PubChem (CID 82487373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).