N-[2-(3,4-dihydro-2H-chromen-8-yloxy)ethyl]-4-(4-methoxyphenyl)butan-1-amine

C22H29NO3 — CID 10522191

IUPACN-[2-(3,4-dihydro-2H-chromen-8-yloxy)ethyl]-4-(4-methoxyphenyl)butan-1-amine
SMILESCOc1ccc(CCCCNCCOc2cccc3c2OCCC3)cc1
InChIInChI=1S/C22H29NO3/c1-24-20-12-10-18(11-13-20)6-2-3-14-23-15-17-25-21-9-4-7-19-8-5-16-26-22(19)21/h4,7,9-13,23H,2-3,5-6,8,14-17H2,1H3
InChIKeyRHNWSBLMCVFMKW-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.01
Rot. Bonds10

About N-[2-(3,4-dihydro-2H-chromen-8-yloxy)ethyl]-4-(4-methoxyphenyl)butan-1-amine

N-[2-(3,4-dihydro-2H-chromen-8-yloxy)ethyl]-4-(4-methoxyphenyl)butan-1-amine (PubChem CID 10522191) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-2H-chromen-8-yloxy)ethyl]-4-(4-methoxyphenyl)butan-1-amine.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-2H-chromen-8-yloxy)ethyl]-4-(4-methoxyphenyl)butan-1-amine
PubChem CID10522191
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC NameN-[2-(3,4-dihydro-2H-chromen-8-yloxy)ethyl]-4-(4-methoxyphenyl)butan-1-amine
SMILESCOc1ccc(CCCCNCCOc2cccc3c2OCCC3)cc1
InChIInChI=1S/C22H29NO3/c1-24-20-12-10-18(11-13-20)6-2-3-14-23-15-17-25-21-9-4-7-19-8-5-16-26-22(19)21/h4,7,9-13,23H,2-3,5-6,8,14-17H2,1H3
InChIKeyRHNWSBLMCVFMKW-UHFFFAOYSA-N
XLogP4.01
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-2H-chromen-8-yloxy)ethyl]-4-(4-methoxyphenyl)butan-1-amine?
The IUPAC name of N-[2-(3,4-dihydro-2H-chromen-8-yloxy)ethyl]-4-(4-methoxyphenyl)butan-1-amine (CID 10522191) is N-[2-(3,4-dihydro-2H-chromen-8-yloxy)ethyl]-4-(4-methoxyphenyl)butan-1-amine.
What is the SMILES notation for N-[2-(3,4-dihydro-2H-chromen-8-yloxy)ethyl]-4-(4-methoxyphenyl)butan-1-amine?
The canonical SMILES for N-[2-(3,4-dihydro-2H-chromen-8-yloxy)ethyl]-4-(4-methoxyphenyl)butan-1-amine is COc1ccc(CCCCNCCOc2cccc3c2OCCC3)cc1.
What is the InChIKey of N-[2-(3,4-dihydro-2H-chromen-8-yloxy)ethyl]-4-(4-methoxyphenyl)butan-1-amine?
The InChIKey is RHNWSBLMCVFMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c1-24-20-12-10-18(11-13-20)6-2-3-14-23-15-17-25-21-9-4-7-19-8-5-16-26-22(19)21/h4,7,9-13,23H,2-3,5-6,8,14-17H2,1H3.
What are the key properties of N-[2-(3,4-dihydro-2H-chromen-8-yloxy)ethyl]-4-(4-methoxyphenyl)butan-1-amine?
N-[2-(3,4-dihydro-2H-chromen-8-yloxy)ethyl]-4-(4-methoxyphenyl)butan-1-amine has a molecular weight of 355.48 g/mol, XLogP of 4.01, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-2H-chromen-8-yloxy)ethyl]-4-(4-methoxyphenyl)butan-1-amine is sourced from PubChem (CID 10522191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).