(4-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine

C17H20N2 — CID 79746303

IUPAC(4-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
SMILESCc1ccc(C(N)C2CCCc3cccnc32)cc1
InChIInChI=1S/C17H20N2/c1-12-7-9-13(10-8-12)16(18)15-6-2-4-14-5-3-11-19-17(14)15/h3,5,7-11,15-16H,2,4,6,18H2,1H3
InChIKeyDDOVVIIKRLAWKQ-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.51
Rot. Bonds2

About (4-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine

(4-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine (PubChem CID 79746303) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (4-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine.

Molecular Properties

Compound Name(4-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
PubChem CID79746303
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name(4-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
SMILESCc1ccc(C(N)C2CCCc3cccnc32)cc1
InChIInChI=1S/C17H20N2/c1-12-7-9-13(10-8-12)16(18)15-6-2-4-14-5-3-11-19-17(14)15/h3,5,7-11,15-16H,2,4,6,18H2,1H3
InChIKeyDDOVVIIKRLAWKQ-UHFFFAOYSA-N
XLogP3.51
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 79745613
(2-methyl-4-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 106755570
2,3-dihydro-1H-inden-5-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 105007339
pyridin-3-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 79748903
furan-3-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 79748533
(8R)-8-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 58752937
(3-ethoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 79731976
(3-chloro-4-methylphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine
CID 105009692
5,6,7,8-tetrahydroquinolin-8-yl-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 105007390
1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine
CID 79748417
1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol
CID 79739208
2-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 81021345

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine?
The IUPAC name of (4-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine (CID 79746303) is (4-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine.
What is the SMILES notation for (4-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine?
The canonical SMILES for (4-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine is Cc1ccc(C(N)C2CCCc3cccnc32)cc1.
What is the InChIKey of (4-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine?
The InChIKey is DDOVVIIKRLAWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-12-7-9-13(10-8-12)16(18)15-6-2-4-14-5-3-11-19-17(14)15/h3,5,7-11,15-16H,2,4,6,18H2,1H3.
What are the key properties of (4-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine?
(4-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine has a molecular weight of 252.36 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine is sourced from PubChem (CID 79746303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).