(2R,4S)-2,6-dimethyl-N-(4-methylphenyl)-1,2,3,4-tetrahydroquinolin-4-amine

C18H22N2 — CID 1133340

IUPAC(2R,4S)-2,6-dimethyl-N-(4-methylphenyl)-1,2,3,4-tetrahydroquinolin-4-amine
SMILESCc1ccc(N[C@H]2C[C@@H](C)Nc3ccc(C)cc32)cc1
InChIInChI=1S/C18H22N2/c1-12-4-7-15(8-5-12)20-18-11-14(3)19-17-9-6-13(2)10-16(17)18/h4-10,14,18-20H,11H2,1-3H3/t14-,18+/m1/s1
InChIKeyFRYSDRKYEWCWRS-KDOFPFPSSA-N
MW266.39 g/mol
LogP4.66
Rot. Bonds2

About (2R,4S)-2,6-dimethyl-N-(4-methylphenyl)-1,2,3,4-tetrahydroquinolin-4-amine

(2R,4S)-2,6-dimethyl-N-(4-methylphenyl)-1,2,3,4-tetrahydroquinolin-4-amine (PubChem CID 1133340) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is (2R,4S)-2,6-dimethyl-N-(4-methylphenyl)-1,2,3,4-tetrahydroquinolin-4-amine.

Molecular Properties

Compound Name(2R,4S)-2,6-dimethyl-N-(4-methylphenyl)-1,2,3,4-tetrahydroquinolin-4-amine
PubChem CID1133340
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name(2R,4S)-2,6-dimethyl-N-(4-methylphenyl)-1,2,3,4-tetrahydroquinolin-4-amine
SMILESCc1ccc(N[C@H]2C[C@@H](C)Nc3ccc(C)cc32)cc1
InChIInChI=1S/C18H22N2/c1-12-4-7-15(8-5-12)20-18-11-14(3)19-17-9-6-13(2)10-16(17)18/h4-10,14,18-20H,11H2,1-3H3/t14-,18+/m1/s1
InChIKeyFRYSDRKYEWCWRS-KDOFPFPSSA-N
XLogP4.66
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2,6-dimethyl-N-(4-methylphenyl)-1,2,3,4-tetrahydroquinolin-4-amine?
The IUPAC name of (2R,4S)-2,6-dimethyl-N-(4-methylphenyl)-1,2,3,4-tetrahydroquinolin-4-amine (CID 1133340) is (2R,4S)-2,6-dimethyl-N-(4-methylphenyl)-1,2,3,4-tetrahydroquinolin-4-amine.
What is the SMILES notation for (2R,4S)-2,6-dimethyl-N-(4-methylphenyl)-1,2,3,4-tetrahydroquinolin-4-amine?
The canonical SMILES for (2R,4S)-2,6-dimethyl-N-(4-methylphenyl)-1,2,3,4-tetrahydroquinolin-4-amine is Cc1ccc(N[C@H]2C[C@@H](C)Nc3ccc(C)cc32)cc1.
What is the InChIKey of (2R,4S)-2,6-dimethyl-N-(4-methylphenyl)-1,2,3,4-tetrahydroquinolin-4-amine?
The InChIKey is FRYSDRKYEWCWRS-KDOFPFPSSA-N. The full InChI is InChI=1S/C18H22N2/c1-12-4-7-15(8-5-12)20-18-11-14(3)19-17-9-6-13(2)10-16(17)18/h4-10,14,18-20H,11H2,1-3H3/t14-,18+/m1/s1.
What are the key properties of (2R,4S)-2,6-dimethyl-N-(4-methylphenyl)-1,2,3,4-tetrahydroquinolin-4-amine?
(2R,4S)-2,6-dimethyl-N-(4-methylphenyl)-1,2,3,4-tetrahydroquinolin-4-amine has a molecular weight of 266.39 g/mol, XLogP of 4.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2,6-dimethyl-N-(4-methylphenyl)-1,2,3,4-tetrahydroquinolin-4-amine is sourced from PubChem (CID 1133340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).