(3R)-4-methyl-1,1,1-triphenyl-2-(pyridin-2-ylmethoxy)pentan-3-amine

C30H32N2O — CID 57319309

IUPAC(3R)-4-methyl-1,1,1-triphenyl-2-(pyridin-2-ylmethoxy)pentan-3-amine
SMILESCC(C)[C@@H](N)C(OCc1ccccn1)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H32N2O/c1-23(2)28(31)29(33-22-27-20-12-13-21-32-27)30(24-14-6-3-7-15-24,25-16-8-4-9-17-25)26-18-10-5-11-19-26/h3-21,23,28-29H,22,31H2,1-2H3/t28-,29?/m1/s1
InChIKeyUJSOIEGBBCGZNN-FICMROCWSA-N
MW436.60 g/mol
LogP5.98
Rot. Bonds9

About (3R)-4-methyl-1,1,1-triphenyl-2-(pyridin-2-ylmethoxy)pentan-3-amine

(3R)-4-methyl-1,1,1-triphenyl-2-(pyridin-2-ylmethoxy)pentan-3-amine (PubChem CID 57319309) has the molecular formula C30H32N2O and a molecular weight of 436.60 g/mol. Its IUPAC name is (3R)-4-methyl-1,1,1-triphenyl-2-(pyridin-2-ylmethoxy)pentan-3-amine.

Molecular Properties

Compound Name(3R)-4-methyl-1,1,1-triphenyl-2-(pyridin-2-ylmethoxy)pentan-3-amine
PubChem CID57319309
Molecular FormulaC30H32N2O
Molecular Weight436.60 g/mol
Exact Mass436.25
IUPAC Name(3R)-4-methyl-1,1,1-triphenyl-2-(pyridin-2-ylmethoxy)pentan-3-amine
SMILESCC(C)[C@@H](N)C(OCc1ccccn1)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H32N2O/c1-23(2)28(31)29(33-22-27-20-12-13-21-32-27)30(24-14-6-3-7-15-24,25-16-8-4-9-17-25)26-18-10-5-11-19-26/h3-21,23,28-29H,22,31H2,1-2H3/t28-,29?/m1/s1
InChIKeyUJSOIEGBBCGZNN-FICMROCWSA-N
XLogP5.98
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.60
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-methyl-1,1,1-triphenyl-2-(pyridin-2-ylmethoxy)pentan-3-amine?
The IUPAC name of (3R)-4-methyl-1,1,1-triphenyl-2-(pyridin-2-ylmethoxy)pentan-3-amine (CID 57319309) is (3R)-4-methyl-1,1,1-triphenyl-2-(pyridin-2-ylmethoxy)pentan-3-amine.
What is the SMILES notation for (3R)-4-methyl-1,1,1-triphenyl-2-(pyridin-2-ylmethoxy)pentan-3-amine?
The canonical SMILES for (3R)-4-methyl-1,1,1-triphenyl-2-(pyridin-2-ylmethoxy)pentan-3-amine is CC(C)[C@@H](N)C(OCc1ccccn1)C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3R)-4-methyl-1,1,1-triphenyl-2-(pyridin-2-ylmethoxy)pentan-3-amine?
The InChIKey is UJSOIEGBBCGZNN-FICMROCWSA-N. The full InChI is InChI=1S/C30H32N2O/c1-23(2)28(31)29(33-22-27-20-12-13-21-32-27)30(24-14-6-3-7-15-24,25-16-8-4-9-17-25)26-18-10-5-11-19-26/h3-21,23,28-29H,22,31H2,1-2H3/t28-,29?/m1/s1.
What are the key properties of (3R)-4-methyl-1,1,1-triphenyl-2-(pyridin-2-ylmethoxy)pentan-3-amine?
(3R)-4-methyl-1,1,1-triphenyl-2-(pyridin-2-ylmethoxy)pentan-3-amine has a molecular weight of 436.60 g/mol, XLogP of 5.98, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-methyl-1,1,1-triphenyl-2-(pyridin-2-ylmethoxy)pentan-3-amine is sourced from PubChem (CID 57319309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).