(1R)-1-(3-methylphenyl)-N-(quinolin-4-ylmethyl)ethanamine

C19H20N2 — CID 81369406

IUPAC(1R)-1-(3-methylphenyl)-N-(quinolin-4-ylmethyl)ethanamine
SMILESCc1cccc([C@@H](C)NCc2ccnc3ccccc23)c1
InChIInChI=1S/C19H20N2/c1-14-6-5-7-16(12-14)15(2)21-13-17-10-11-20-19-9-4-3-8-18(17)19/h3-12,15,21H,13H2,1-2H3/t15-/m1/s1
InChIKeyFEFZHFDGFPUXJT-OAHLLOKOSA-N
MW276.38 g/mol
LogP4.39
Rot. Bonds4

About (1R)-1-(3-methylphenyl)-N-(quinolin-4-ylmethyl)ethanamine

(1R)-1-(3-methylphenyl)-N-(quinolin-4-ylmethyl)ethanamine (PubChem CID 81369406) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (1R)-1-(3-methylphenyl)-N-(quinolin-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-methylphenyl)-N-(quinolin-4-ylmethyl)ethanamine
PubChem CID81369406
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC Name(1R)-1-(3-methylphenyl)-N-(quinolin-4-ylmethyl)ethanamine
SMILESCc1cccc([C@@H](C)NCc2ccnc3ccccc23)c1
InChIInChI=1S/C19H20N2/c1-14-6-5-7-16(12-14)15(2)21-13-17-10-11-20-19-9-4-3-8-18(17)19/h3-12,15,21H,13H2,1-2H3/t15-/m1/s1
InChIKeyFEFZHFDGFPUXJT-OAHLLOKOSA-N
XLogP4.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-methylphenyl)-N-(quinolin-4-ylmethyl)ethanamine?
The IUPAC name of (1R)-1-(3-methylphenyl)-N-(quinolin-4-ylmethyl)ethanamine (CID 81369406) is (1R)-1-(3-methylphenyl)-N-(quinolin-4-ylmethyl)ethanamine.
What is the SMILES notation for (1R)-1-(3-methylphenyl)-N-(quinolin-4-ylmethyl)ethanamine?
The canonical SMILES for (1R)-1-(3-methylphenyl)-N-(quinolin-4-ylmethyl)ethanamine is Cc1cccc([C@@H](C)NCc2ccnc3ccccc23)c1.
What is the InChIKey of (1R)-1-(3-methylphenyl)-N-(quinolin-4-ylmethyl)ethanamine?
The InChIKey is FEFZHFDGFPUXJT-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H20N2/c1-14-6-5-7-16(12-14)15(2)21-13-17-10-11-20-19-9-4-3-8-18(17)19/h3-12,15,21H,13H2,1-2H3/t15-/m1/s1.
What are the key properties of (1R)-1-(3-methylphenyl)-N-(quinolin-4-ylmethyl)ethanamine?
(1R)-1-(3-methylphenyl)-N-(quinolin-4-ylmethyl)ethanamine has a molecular weight of 276.38 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-methylphenyl)-N-(quinolin-4-ylmethyl)ethanamine is sourced from PubChem (CID 81369406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).