4-(5,6,7,8-tetrahydroquinolin-2-yl)aniline

C15H16N2 — CID 57154920

IUPAC4-(5,6,7,8-tetrahydroquinolin-2-yl)aniline
SMILESNc1ccc(-c2ccc3c(n2)CCCC3)cc1
InChIInChI=1S/C15H16N2/c16-13-8-5-12(6-9-13)15-10-7-11-3-1-2-4-14(11)17-15/h5-10H,1-4,16H2
InChIKeyJZJCKFMRLBQPAD-UHFFFAOYSA-N
MW224.31 g/mol
LogP3.21
Rot. Bonds1

About 4-(5,6,7,8-tetrahydroquinolin-2-yl)aniline

4-(5,6,7,8-tetrahydroquinolin-2-yl)aniline (PubChem CID 57154920) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-(5,6,7,8-tetrahydroquinolin-2-yl)aniline.

Molecular Properties

Compound Name4-(5,6,7,8-tetrahydroquinolin-2-yl)aniline
PubChem CID57154920
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC Name4-(5,6,7,8-tetrahydroquinolin-2-yl)aniline
SMILESNc1ccc(-c2ccc3c(n2)CCCC3)cc1
InChIInChI=1S/C15H16N2/c16-13-8-5-12(6-9-13)15-10-7-11-3-1-2-4-14(11)17-15/h5-10H,1-4,16H2
InChIKeyJZJCKFMRLBQPAD-UHFFFAOYSA-N
XLogP3.21
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(5,6,7,8-tetrahydroquinolin-2-yl)aniline?
The IUPAC name of 4-(5,6,7,8-tetrahydroquinolin-2-yl)aniline (CID 57154920) is 4-(5,6,7,8-tetrahydroquinolin-2-yl)aniline.
What is the SMILES notation for 4-(5,6,7,8-tetrahydroquinolin-2-yl)aniline?
The canonical SMILES for 4-(5,6,7,8-tetrahydroquinolin-2-yl)aniline is Nc1ccc(-c2ccc3c(n2)CCCC3)cc1.
What is the InChIKey of 4-(5,6,7,8-tetrahydroquinolin-2-yl)aniline?
The InChIKey is JZJCKFMRLBQPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2/c16-13-8-5-12(6-9-13)15-10-7-11-3-1-2-4-14(11)17-15/h5-10H,1-4,16H2.
What are the key properties of 4-(5,6,7,8-tetrahydroquinolin-2-yl)aniline?
4-(5,6,7,8-tetrahydroquinolin-2-yl)aniline has a molecular weight of 224.31 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6,7,8-tetrahydroquinolin-2-yl)aniline is sourced from PubChem (CID 57154920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).