3-[(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]pentan-1-amine

C22H29NO2 — CID 70052978

IUPAC3-[(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]pentan-1-amine
SMILESCCC(CCN)CC1CCc2ccc(OCc3ccccc3)cc2O1
InChIInChI=1S/C22H29NO2/c1-2-17(12-13-23)14-21-11-9-19-8-10-20(15-22(19)25-21)24-16-18-6-4-3-5-7-18/h3-8,10,15,17,21H,2,9,11-14,16,23H2,1H3
InChIKeyOSKFISQEFHMAAY-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.72
Rot. Bonds8

About 3-[(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]pentan-1-amine

3-[(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]pentan-1-amine (PubChem CID 70052978) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 3-[(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]pentan-1-amine.

Molecular Properties

Compound Name3-[(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]pentan-1-amine
PubChem CID70052978
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name3-[(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]pentan-1-amine
SMILESCCC(CCN)CC1CCc2ccc(OCc3ccccc3)cc2O1
InChIInChI=1S/C22H29NO2/c1-2-17(12-13-23)14-21-11-9-19-8-10-20(15-22(19)25-21)24-16-18-6-4-3-5-7-18/h3-8,10,15,17,21H,2,9,11-14,16,23H2,1H3
InChIKeyOSKFISQEFHMAAY-UHFFFAOYSA-N
XLogP4.72
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]pentan-1-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 3-[(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]pentan-1-amine?
The IUPAC name of 3-[(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]pentan-1-amine (CID 70052978) is 3-[(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]pentan-1-amine.
What is the SMILES notation for 3-[(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]pentan-1-amine?
The canonical SMILES for 3-[(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]pentan-1-amine is CCC(CCN)CC1CCc2ccc(OCc3ccccc3)cc2O1.
What is the InChIKey of 3-[(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]pentan-1-amine?
The InChIKey is OSKFISQEFHMAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-2-17(12-13-23)14-21-11-9-19-8-10-20(15-22(19)25-21)24-16-18-6-4-3-5-7-18/h3-8,10,15,17,21H,2,9,11-14,16,23H2,1H3.
What are the key properties of 3-[(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]pentan-1-amine?
3-[(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]pentan-1-amine has a molecular weight of 339.48 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-phenylmethoxy-3,4-dihydro-2H-chromen-2-yl)methyl]pentan-1-amine is sourced from PubChem (CID 70052978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).