(3R)-8-phenyl-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine

C21H27NO — CID 11267988

IUPAC(3R)-8-phenyl-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine
SMILESCCCN(CCC)[C@H]1COc2c(cccc2-c2ccccc2)C1
InChIInChI=1S/C21H27NO/c1-3-13-22(14-4-2)19-15-18-11-8-12-20(21(18)23-16-19)17-9-6-5-7-10-17/h5-12,19H,3-4,13-16H2,1-2H3/t19-/m1/s1
InChIKeyOYEKUFKQGCYWCG-LJQANCHMSA-N
MW309.45 g/mol
LogP4.78
Rot. Bonds6

About (3R)-8-phenyl-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine

(3R)-8-phenyl-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine (PubChem CID 11267988) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is (3R)-8-phenyl-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound Name(3R)-8-phenyl-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine
PubChem CID11267988
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name(3R)-8-phenyl-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine
SMILESCCCN(CCC)[C@H]1COc2c(cccc2-c2ccccc2)C1
InChIInChI=1S/C21H27NO/c1-3-13-22(14-4-2)19-15-18-11-8-12-20(21(18)23-16-19)17-9-6-5-7-10-17/h5-12,19H,3-4,13-16H2,1-2H3/t19-/m1/s1
InChIKeyOYEKUFKQGCYWCG-LJQANCHMSA-N
XLogP4.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3R)-8-phenyl-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-8-phenyl-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of (3R)-8-phenyl-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine (CID 11267988) is (3R)-8-phenyl-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for (3R)-8-phenyl-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for (3R)-8-phenyl-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine is CCCN(CCC)[C@H]1COc2c(cccc2-c2ccccc2)C1.
What is the InChIKey of (3R)-8-phenyl-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is OYEKUFKQGCYWCG-LJQANCHMSA-N. The full InChI is InChI=1S/C21H27NO/c1-3-13-22(14-4-2)19-15-18-11-8-12-20(21(18)23-16-19)17-9-6-5-7-10-17/h5-12,19H,3-4,13-16H2,1-2H3/t19-/m1/s1.
What are the key properties of (3R)-8-phenyl-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine?
(3R)-8-phenyl-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 309.45 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-phenyl-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 11267988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).