N-ethyl-2-hexyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine

C18H29NO2 — CID 114713035

IUPACN-ethyl-2-hexyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCCCCCCC1CC(NCC)c2cc(OC)ccc2O1
InChIInChI=1S/C18H29NO2/c1-4-6-7-8-9-15-13-17(19-5-2)16-12-14(20-3)10-11-18(16)21-15/h10-12,15,17,19H,4-9,13H2,1-3H3
InChIKeyOWHPIUZYPMZEBV-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.47
Rot. Bonds8

About N-ethyl-2-hexyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine

N-ethyl-2-hexyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114713035) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-ethyl-2-hexyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-ethyl-2-hexyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
PubChem CID114713035
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-ethyl-2-hexyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCCCCCCC1CC(NCC)c2cc(OC)ccc2O1
InChIInChI=1S/C18H29NO2/c1-4-6-7-8-9-15-13-17(19-5-2)16-12-14(20-3)10-11-18(16)21-15/h10-12,15,17,19H,4-9,13H2,1-3H3
InChIKeyOWHPIUZYPMZEBV-UHFFFAOYSA-N
XLogP4.47
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.47
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

(4R)-2-heptyl-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104950983
2-hexyl-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114715401
(4R)-2-heptyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104946961
N-ethyl-2-hexyl-3,4-dihydro-2H-chromen-4-amine
CID 114712202
N-ethyl-7-methoxy-2-propyl-3,4-dihydro-2H-chromen-4-amine
CID 114711038
(4S)-2-butyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104946892
6-methoxy-N-methyl-2-(3-methylsulfanylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 103090686
(4R)-2-hexyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944789
(4R)-2-heptyl-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104948552
N-ethyl-6-methoxy-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114713069
N-ethyl-6-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-amine
CID 114713010
6-methoxy-2-pentan-3-yl-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 114713104

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-hexyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-ethyl-2-hexyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine (CID 114713035) is N-ethyl-2-hexyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-ethyl-2-hexyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-ethyl-2-hexyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine is CCCCCCC1CC(NCC)c2cc(OC)ccc2O1.
What is the InChIKey of N-ethyl-2-hexyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is OWHPIUZYPMZEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-6-7-8-9-15-13-17(19-5-2)16-12-14(20-3)10-11-18(16)21-15/h10-12,15,17,19H,4-9,13H2,1-3H3.
What are the key properties of N-ethyl-2-hexyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
N-ethyl-2-hexyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 291.44 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-hexyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114713035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).