8-methoxy-N-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-chromen-4-amine

C17H26N2O3 — CID 82461715

IUPAC8-methoxy-N-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1cccc2c1OCCC2NCCCN1CCOCC1
InChIInChI=1S/C17H26N2O3/c1-20-16-5-2-4-14-15(6-11-22-17(14)16)18-7-3-8-19-9-12-21-13-10-19/h2,4-5,15,18H,3,6-13H2,1H3
InChIKeyLZUHJTPSWZOZQZ-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.83
Rot. Bonds6

About 8-methoxy-N-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-chromen-4-amine

8-methoxy-N-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 82461715) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 8-methoxy-N-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name8-methoxy-N-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID82461715
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name8-methoxy-N-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1cccc2c1OCCC2NCCCN1CCOCC1
InChIInChI=1S/C17H26N2O3/c1-20-16-5-2-4-14-15(6-11-22-17(14)16)18-7-3-8-19-9-12-21-13-10-19/h2,4-5,15,18H,3,6-13H2,1H3
InChIKeyLZUHJTPSWZOZQZ-UHFFFAOYSA-N
XLogP1.83
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-8-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 82461734
8-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 43511818
6-fluoro-N-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 82461638
8-methoxy-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82461727
9-methoxy-4-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-one
CID 82250923
N-(3-morpholin-4-ylpropyl)-3,4-dihydro-1H-isothiochromen-4-amine
CID 43769539
6-methyl-N-(3-morpholin-4-ylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 81300518
N-(3-morpholin-4-ylpropyl)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-amine
CID 43522982
8-methyl-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 43511874
4-[(8-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)amino]butan-2-ol
CID 109395509
(4R)-N-(3-methoxypropyl)-3,4-dihydro-2H-chromen-4-amine
CID 7287154
8-ethyl-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 43512680

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 8-methoxy-N-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-chromen-4-amine (CID 82461715) is 8-methoxy-N-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 8-methoxy-N-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 8-methoxy-N-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-chromen-4-amine is COc1cccc2c1OCCC2NCCCN1CCOCC1.
What is the InChIKey of 8-methoxy-N-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is LZUHJTPSWZOZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-20-16-5-2-4-14-15(6-11-22-17(14)16)18-7-3-8-19-9-12-21-13-10-19/h2,4-5,15,18H,3,6-13H2,1H3.
What are the key properties of 8-methoxy-N-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-chromen-4-amine?
8-methoxy-N-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 306.41 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 82461715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).