2-phenyl-1-(5,6,7,8-tetrahydroquinazolin-2-yl)ethanamine

C16H19N3 — CID 82481824

IUPAC2-phenyl-1-(5,6,7,8-tetrahydroquinazolin-2-yl)ethanamine
SMILESNC(Cc1ccccc1)c1ncc2c(n1)CCCC2
InChIInChI=1S/C16H19N3/c17-14(10-12-6-2-1-3-7-12)16-18-11-13-8-4-5-9-15(13)19-16/h1-3,6-7,11,14H,4-5,8-10,17H2
InChIKeyARIFMGNGJNISCL-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.60
Rot. Bonds3

About 2-phenyl-1-(5,6,7,8-tetrahydroquinazolin-2-yl)ethanamine

2-phenyl-1-(5,6,7,8-tetrahydroquinazolin-2-yl)ethanamine (PubChem CID 82481824) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-phenyl-1-(5,6,7,8-tetrahydroquinazolin-2-yl)ethanamine.

Molecular Properties

Compound Name2-phenyl-1-(5,6,7,8-tetrahydroquinazolin-2-yl)ethanamine
PubChem CID82481824
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name2-phenyl-1-(5,6,7,8-tetrahydroquinazolin-2-yl)ethanamine
SMILESNC(Cc1ccccc1)c1ncc2c(n1)CCCC2
InChIInChI=1S/C16H19N3/c17-14(10-12-6-2-1-3-7-12)16-18-11-13-8-4-5-9-15(13)19-16/h1-3,6-7,11,14H,4-5,8-10,17H2
InChIKeyARIFMGNGJNISCL-UHFFFAOYSA-N
XLogP2.60
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5,6,7,8-tetrahydroquinazolin-2-yl)propan-2-amine
CID 105445499
trimethyl-[5,6,7,8-tetrahydroquinazolin-2-yl-(trimethyl-λ4-sulfanyl)methyl]-λ4-sulfane
CID 89375479
1-(3-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)-2-phenylethanamine
CID 83988302
2-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 61078811
5,6,7,8-tetrahydroquinazolin-2-ylmethanamine
CID 55265501
2-phenyl-1-quinoxalin-2-ylethanamine
CID 107356898
(1R)-1-(1-methyl-1,2,4-triazol-3-yl)-2-phenylethanamine
CID 97288693
1-[(1E)-cycloocten-1-yl]-2-phenylethanamine
CID 106652454
N-(1-benzylpiperidin-4-yl)-5,6,7,8-tetrahydroquinazolin-2-amine
CID 167810243
(1S)-2-phenyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethanamine
CID 167802845
2-amino-3-(5,6,7,8-tetrahydroquinolin-3-yl)propanoic acid
CID 83837749
2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)aniline
CID 82473451

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(5,6,7,8-tetrahydroquinazolin-2-yl)ethanamine?
The IUPAC name of 2-phenyl-1-(5,6,7,8-tetrahydroquinazolin-2-yl)ethanamine (CID 82481824) is 2-phenyl-1-(5,6,7,8-tetrahydroquinazolin-2-yl)ethanamine.
What is the SMILES notation for 2-phenyl-1-(5,6,7,8-tetrahydroquinazolin-2-yl)ethanamine?
The canonical SMILES for 2-phenyl-1-(5,6,7,8-tetrahydroquinazolin-2-yl)ethanamine is NC(Cc1ccccc1)c1ncc2c(n1)CCCC2.
What is the InChIKey of 2-phenyl-1-(5,6,7,8-tetrahydroquinazolin-2-yl)ethanamine?
The InChIKey is ARIFMGNGJNISCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c17-14(10-12-6-2-1-3-7-12)16-18-11-13-8-4-5-9-15(13)19-16/h1-3,6-7,11,14H,4-5,8-10,17H2.
What are the key properties of 2-phenyl-1-(5,6,7,8-tetrahydroquinazolin-2-yl)ethanamine?
2-phenyl-1-(5,6,7,8-tetrahydroquinazolin-2-yl)ethanamine has a molecular weight of 253.35 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(5,6,7,8-tetrahydroquinazolin-2-yl)ethanamine is sourced from PubChem (CID 82481824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).