3-phenyl-N-[[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]propan-1-amine

C19H24N2 — CID 125489057

IUPAC3-phenyl-N-[[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]propan-1-amine
SMILESc1ccc(CCCNC[C@H]2CCc3ccccc3N2)cc1
InChIInChI=1S/C19H24N2/c1-2-7-16(8-3-1)9-6-14-20-15-18-13-12-17-10-4-5-11-19(17)21-18/h1-5,7-8,10-11,18,20-21H,6,9,12-15H2/t18-/m1/s1
InChIKeyZDNFITHXQXURBP-GOSISDBHSA-N
MW280.42 g/mol
LogP3.64
Rot. Bonds6

About 3-phenyl-N-[[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]propan-1-amine

3-phenyl-N-[[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]propan-1-amine (PubChem CID 125489057) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 3-phenyl-N-[[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name3-phenyl-N-[[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]propan-1-amine
PubChem CID125489057
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name3-phenyl-N-[[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]propan-1-amine
SMILESc1ccc(CCCNC[C@H]2CCc3ccccc3N2)cc1
InChIInChI=1S/C19H24N2/c1-2-7-16(8-3-1)9-6-14-20-15-18-13-12-17-10-4-5-11-19(17)21-18/h1-5,7-8,10-11,18,20-21H,6,9,12-15H2/t18-/m1/s1
InChIKeyZDNFITHXQXURBP-GOSISDBHSA-N
XLogP3.64
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]propan-1-amine?
The IUPAC name of 3-phenyl-N-[[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]propan-1-amine (CID 125489057) is 3-phenyl-N-[[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 3-phenyl-N-[[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]propan-1-amine?
The canonical SMILES for 3-phenyl-N-[[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]propan-1-amine is c1ccc(CCCNC[C@H]2CCc3ccccc3N2)cc1.
What is the InChIKey of 3-phenyl-N-[[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]propan-1-amine?
The InChIKey is ZDNFITHXQXURBP-GOSISDBHSA-N. The full InChI is InChI=1S/C19H24N2/c1-2-7-16(8-3-1)9-6-14-20-15-18-13-12-17-10-4-5-11-19(17)21-18/h1-5,7-8,10-11,18,20-21H,6,9,12-15H2/t18-/m1/s1.
What are the key properties of 3-phenyl-N-[[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]propan-1-amine?
3-phenyl-N-[[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]propan-1-amine has a molecular weight of 280.42 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 125489057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).