(2R,4S)-2-methyl-N-phenyl-1,2,3,4-tetrahydroquinolin-4-amine

C16H18N2 — CID 715781

IUPAC(2R,4S)-2-methyl-N-phenyl-1,2,3,4-tetrahydroquinolin-4-amine
SMILESC[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1
InChIInChI=1S/C16H18N2/c1-12-11-16(18-13-7-3-2-4-8-13)14-9-5-6-10-15(14)17-12/h2-10,12,16-18H,11H2,1H3/t12-,16+/m1/s1
InChIKeyFTECJLOPKLYFII-WBMJQRKESA-N
MW238.33 g/mol
LogP4.04
Rot. Bonds2

About (2R,4S)-2-methyl-N-phenyl-1,2,3,4-tetrahydroquinolin-4-amine

(2R,4S)-2-methyl-N-phenyl-1,2,3,4-tetrahydroquinolin-4-amine (PubChem CID 715781) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is (2R,4S)-2-methyl-N-phenyl-1,2,3,4-tetrahydroquinolin-4-amine.

Molecular Properties

Compound Name(2R,4S)-2-methyl-N-phenyl-1,2,3,4-tetrahydroquinolin-4-amine
PubChem CID715781
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name(2R,4S)-2-methyl-N-phenyl-1,2,3,4-tetrahydroquinolin-4-amine
SMILESC[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1
InChIInChI=1S/C16H18N2/c1-12-11-16(18-13-7-3-2-4-8-13)14-9-5-6-10-15(14)17-12/h2-10,12,16-18H,11H2,1H3/t12-,16+/m1/s1
InChIKeyFTECJLOPKLYFII-WBMJQRKESA-N
XLogP4.04
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-methyl-N-phenyl-1,2,3,4-tetrahydroquinolin-4-amine?
The IUPAC name of (2R,4S)-2-methyl-N-phenyl-1,2,3,4-tetrahydroquinolin-4-amine (CID 715781) is (2R,4S)-2-methyl-N-phenyl-1,2,3,4-tetrahydroquinolin-4-amine.
What is the SMILES notation for (2R,4S)-2-methyl-N-phenyl-1,2,3,4-tetrahydroquinolin-4-amine?
The canonical SMILES for (2R,4S)-2-methyl-N-phenyl-1,2,3,4-tetrahydroquinolin-4-amine is C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1.
What is the InChIKey of (2R,4S)-2-methyl-N-phenyl-1,2,3,4-tetrahydroquinolin-4-amine?
The InChIKey is FTECJLOPKLYFII-WBMJQRKESA-N. The full InChI is InChI=1S/C16H18N2/c1-12-11-16(18-13-7-3-2-4-8-13)14-9-5-6-10-15(14)17-12/h2-10,12,16-18H,11H2,1H3/t12-,16+/m1/s1.
What are the key properties of (2R,4S)-2-methyl-N-phenyl-1,2,3,4-tetrahydroquinolin-4-amine?
(2R,4S)-2-methyl-N-phenyl-1,2,3,4-tetrahydroquinolin-4-amine has a molecular weight of 238.33 g/mol, XLogP of 4.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-methyl-N-phenyl-1,2,3,4-tetrahydroquinolin-4-amine is sourced from PubChem (CID 715781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).