N-butyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine

C14H21NO2 — CID 82461741

IUPACN-butyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCCCCNC1CCOc2cc(OC)ccc21
InChIInChI=1S/C14H21NO2/c1-3-4-8-15-13-7-9-17-14-10-11(16-2)5-6-12(13)14/h5-6,10,13,15H,3-4,7-9H2,1-2H3
InChIKeyNFSUJTNODKCSAU-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.91
Rot. Bonds5

About N-butyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine

N-butyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine (PubChem CID 82461741) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-butyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-butyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine
PubChem CID82461741
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-butyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCCCCNC1CCOc2cc(OC)ccc21
InChIInChI=1S/C14H21NO2/c1-3-4-8-15-13-7-9-17-14-10-11(16-2)5-6-12(13)14/h5-6,10,13,15H,3-4,7-9H2,1-2H3
InChIKeyNFSUJTNODKCSAU-UHFFFAOYSA-N
XLogP2.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-N-(4-methylpentyl)-3,4-dihydro-2H-chromen-4-amine
CID 54914211
N-[(2-fluorophenyl)methyl]-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 82461749
6-methoxy-N-(2-methoxyethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43756306
6-methoxy-N-(3-methylsulfinylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 115721100
N-butyl-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 82462754
(5R)-8-methoxy-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 100686105
7-methoxy-N-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 75422627
N-hexyl-6,7-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 82461541
N'-butan-2-yl-N-(6-methoxy-3,4-dihydro-2H-chromen-4-yl)-N'-methylethane-1,2-diamine
CID 103780845
N-benzyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 12851988
2-[2-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]ethoxy]ethanol
CID 43771494
(4R)-N-(3-methoxypropyl)-3,4-dihydro-2H-chromen-4-amine
CID 7287154

Frequently Asked Questions

What is the IUPAC name of N-butyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-butyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine (CID 82461741) is N-butyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-butyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-butyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine is CCCCNC1CCOc2cc(OC)ccc21.
What is the InChIKey of N-butyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is NFSUJTNODKCSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-4-8-15-13-7-9-17-14-10-11(16-2)5-6-12(13)14/h5-6,10,13,15H,3-4,7-9H2,1-2H3.
What are the key properties of N-butyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine?
N-butyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 235.33 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 82461741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).