N-benzyl-1-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanamine

C21H27NO2 — CID 73333526

IUPACN-benzyl-1-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanamine
SMILESCOc1cc2c(cc1C(C)NCc1ccccc1)CCC(C)(C)O2
InChIInChI=1S/C21H27NO2/c1-15(22-14-16-8-6-5-7-9-16)18-12-17-10-11-21(2,3)24-19(17)13-20(18)23-4/h5-9,12-13,15,22H,10-11,14H2,1-4H3
InChIKeyWSNHSMQHBQKNRY-UHFFFAOYSA-N
MW325.45 g/mol
LogP4.65
Rot. Bonds5

About N-benzyl-1-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanamine

N-benzyl-1-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanamine (PubChem CID 73333526) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is N-benzyl-1-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanamine.

Molecular Properties

Compound NameN-benzyl-1-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanamine
PubChem CID73333526
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC NameN-benzyl-1-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanamine
SMILESCOc1cc2c(cc1C(C)NCc1ccccc1)CCC(C)(C)O2
InChIInChI=1S/C21H27NO2/c1-15(22-14-16-8-6-5-7-9-16)18-12-17-10-11-21(2,3)24-19(17)13-20(18)23-4/h5-9,12-13,15,22H,10-11,14H2,1-4H3
InChIKeyWSNHSMQHBQKNRY-UHFFFAOYSA-N
XLogP4.65
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-1-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanamine 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 N-benzyl-1-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanamine?
The IUPAC name of N-benzyl-1-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanamine (CID 73333526) is N-benzyl-1-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanamine.
What is the SMILES notation for N-benzyl-1-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanamine?
The canonical SMILES for N-benzyl-1-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanamine is COc1cc2c(cc1C(C)NCc1ccccc1)CCC(C)(C)O2.
What is the InChIKey of N-benzyl-1-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanamine?
The InChIKey is WSNHSMQHBQKNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-15(22-14-16-8-6-5-7-9-16)18-12-17-10-11-21(2,3)24-19(17)13-20(18)23-4/h5-9,12-13,15,22H,10-11,14H2,1-4H3.
What are the key properties of N-benzyl-1-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanamine?
N-benzyl-1-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanamine has a molecular weight of 325.45 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)ethanamine is sourced from PubChem (CID 73333526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).