N-cyclopropyl-2-ethyl-6-methoxy-7-(3-methoxypropoxy)-2H-chromen-4-amine

C19H27NO4 — CID 156760203

IUPACN-cyclopropyl-2-ethyl-6-methoxy-7-(3-methoxypropoxy)-2H-chromen-4-amine
SMILESCCC1C=C(NC2CC2)c2cc(OC)c(OCCCOC)cc2O1
InChIInChI=1S/C19H27NO4/c1-4-14-10-16(20-13-6-7-13)15-11-18(22-3)19(12-17(15)24-14)23-9-5-8-21-2/h10-14,20H,4-9H2,1-3H3
InChIKeyBXVIUPBOOFVENF-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.37
Rot. Bonds9

About N-cyclopropyl-2-ethyl-6-methoxy-7-(3-methoxypropoxy)-2H-chromen-4-amine

N-cyclopropyl-2-ethyl-6-methoxy-7-(3-methoxypropoxy)-2H-chromen-4-amine (PubChem CID 156760203) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-cyclopropyl-2-ethyl-6-methoxy-7-(3-methoxypropoxy)-2H-chromen-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-2-ethyl-6-methoxy-7-(3-methoxypropoxy)-2H-chromen-4-amine
PubChem CID156760203
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC NameN-cyclopropyl-2-ethyl-6-methoxy-7-(3-methoxypropoxy)-2H-chromen-4-amine
SMILESCCC1C=C(NC2CC2)c2cc(OC)c(OCCCOC)cc2O1
InChIInChI=1S/C19H27NO4/c1-4-14-10-16(20-13-6-7-13)15-11-18(22-3)19(12-17(15)24-14)23-9-5-8-21-2/h10-14,20H,4-9H2,1-3H3
InChIKeyBXVIUPBOOFVENF-UHFFFAOYSA-N
XLogP3.37
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.37
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-cyclopropyl-6,7-dimethoxy-2-(methylsulfanylmethyl)-2H-chromen-4-amine
CID 166720916
6-chloro-N-cyclopropyl-7-(3-methoxypropoxy)-2-propan-2-yl-2H-chromen-4-amine
CID 156760227
N-cyclopropyl-6-methoxy-7-phenylmethoxy-2-propan-2-yl-2H-chromen-4-amine
CID 156760212
N-cyclobutyl-6-fluoro-7-(3-methoxypropoxy)-2-(3-methyloxetan-3-yl)-2H-chromen-4-amine
CID 156760214
methyl 1-cyclopropyl-5-ethyl-9-methoxy-8-(3-methoxypropoxy)-2-oxo-5H-chromeno[4,3-b]pyridine-3-carboxylate
CID 166726176
N-[[4-methoxy-5-(3-methoxypropoxy)-2-methylphenyl]methyl]cyclopropanamine
CID 59494303
N-[[2-chloro-4-methoxy-5-(3-methoxypropoxy)phenyl]methyl]cyclopropanamine
CID 59494193
N-[[3-methoxy-4-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
CID 104646908
N-[[5-methoxy-2-(3-methoxypropoxy)phenyl]methyl]cyclopropanamine
CID 54935637
4-[[3-methoxy-4-(3-methoxypropoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122093253
6-chloro-N-cyclopropyl-2-(3-methyloxetan-3-yl)-7-(2-trimethylsilylethoxymethoxy)-2H-chromen-4-amine
CID 172728052
6-ethyl-10-methoxy-9-(3-methoxypropoxy)-3-(methylaminomethyl)-6,7-dihydrobenzo[a]quinolizin-2-one
CID 118514449

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-ethyl-6-methoxy-7-(3-methoxypropoxy)-2H-chromen-4-amine?
The IUPAC name of N-cyclopropyl-2-ethyl-6-methoxy-7-(3-methoxypropoxy)-2H-chromen-4-amine (CID 156760203) is N-cyclopropyl-2-ethyl-6-methoxy-7-(3-methoxypropoxy)-2H-chromen-4-amine.
What is the SMILES notation for N-cyclopropyl-2-ethyl-6-methoxy-7-(3-methoxypropoxy)-2H-chromen-4-amine?
The canonical SMILES for N-cyclopropyl-2-ethyl-6-methoxy-7-(3-methoxypropoxy)-2H-chromen-4-amine is CCC1C=C(NC2CC2)c2cc(OC)c(OCCCOC)cc2O1.
What is the InChIKey of N-cyclopropyl-2-ethyl-6-methoxy-7-(3-methoxypropoxy)-2H-chromen-4-amine?
The InChIKey is BXVIUPBOOFVENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4/c1-4-14-10-16(20-13-6-7-13)15-11-18(22-3)19(12-17(15)24-14)23-9-5-8-21-2/h10-14,20H,4-9H2,1-3H3.
What are the key properties of N-cyclopropyl-2-ethyl-6-methoxy-7-(3-methoxypropoxy)-2H-chromen-4-amine?
N-cyclopropyl-2-ethyl-6-methoxy-7-(3-methoxypropoxy)-2H-chromen-4-amine has a molecular weight of 333.43 g/mol, XLogP of 3.37, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-ethyl-6-methoxy-7-(3-methoxypropoxy)-2H-chromen-4-amine is sourced from PubChem (CID 156760203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).