N-(3,4-dihydro-2H-chromen-7-ylmethyl)-3-(4-methoxyphenyl)-N-methylprop-2-en-1-amine

C21H25NO2 — CID 176731839

IUPACN-(3,4-dihydro-2H-chromen-7-ylmethyl)-3-(4-methoxyphenyl)-N-methylprop-2-en-1-amine
SMILESCOc1ccc(C=CCN(C)Cc2ccc3c(c2)OCCC3)cc1
InChIInChI=1S/C21H25NO2/c1-22(13-3-5-17-8-11-20(23-2)12-9-17)16-18-7-10-19-6-4-14-24-21(19)15-18/h3,5,7-12,15H,4,6,13-14,16H2,1-2H3
InChIKeyZIBDOUJXOOTSSM-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.17
Rot. Bonds6

About N-(3,4-dihydro-2H-chromen-7-ylmethyl)-3-(4-methoxyphenyl)-N-methylprop-2-en-1-amine

N-(3,4-dihydro-2H-chromen-7-ylmethyl)-3-(4-methoxyphenyl)-N-methylprop-2-en-1-amine (PubChem CID 176731839) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-7-ylmethyl)-3-(4-methoxyphenyl)-N-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-7-ylmethyl)-3-(4-methoxyphenyl)-N-methylprop-2-en-1-amine
PubChem CID176731839
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC NameN-(3,4-dihydro-2H-chromen-7-ylmethyl)-3-(4-methoxyphenyl)-N-methylprop-2-en-1-amine
SMILESCOc1ccc(C=CCN(C)Cc2ccc3c(c2)OCCC3)cc1
InChIInChI=1S/C21H25NO2/c1-22(13-3-5-17-8-11-20(23-2)12-9-17)16-18-7-10-19-6-4-14-24-21(19)15-18/h3,5,7-12,15H,4,6,13-14,16H2,1-2H3
InChIKeyZIBDOUJXOOTSSM-UHFFFAOYSA-N
XLogP4.17
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-7-ylmethyl)-3-(4-methoxyphenyl)-N-methylprop-2-en-1-amine?
The IUPAC name of N-(3,4-dihydro-2H-chromen-7-ylmethyl)-3-(4-methoxyphenyl)-N-methylprop-2-en-1-amine (CID 176731839) is N-(3,4-dihydro-2H-chromen-7-ylmethyl)-3-(4-methoxyphenyl)-N-methylprop-2-en-1-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-7-ylmethyl)-3-(4-methoxyphenyl)-N-methylprop-2-en-1-amine?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-7-ylmethyl)-3-(4-methoxyphenyl)-N-methylprop-2-en-1-amine is COc1ccc(C=CCN(C)Cc2ccc3c(c2)OCCC3)cc1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-7-ylmethyl)-3-(4-methoxyphenyl)-N-methylprop-2-en-1-amine?
The InChIKey is ZIBDOUJXOOTSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-22(13-3-5-17-8-11-20(23-2)12-9-17)16-18-7-10-19-6-4-14-24-21(19)15-18/h3,5,7-12,15H,4,6,13-14,16H2,1-2H3.
What are the key properties of N-(3,4-dihydro-2H-chromen-7-ylmethyl)-3-(4-methoxyphenyl)-N-methylprop-2-en-1-amine?
N-(3,4-dihydro-2H-chromen-7-ylmethyl)-3-(4-methoxyphenyl)-N-methylprop-2-en-1-amine has a molecular weight of 323.44 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-7-ylmethyl)-3-(4-methoxyphenyl)-N-methylprop-2-en-1-amine is sourced from PubChem (CID 176731839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).