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

C18H27NO2 — CID 114711017

IUPAC2-cyclohexyl-N-ethyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1CC(C2CCCCC2)Oc2cc(OC)ccc21
InChIInChI=1S/C18H27NO2/c1-3-19-16-12-17(13-7-5-4-6-8-13)21-18-11-14(20-2)9-10-15(16)18/h9-11,13,16-17,19H,3-8,12H2,1-2H3
InChIKeyZLMMVRMDAARBKH-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.08
Rot. Bonds4

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

2-cyclohexyl-N-ethyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114711017) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-cyclohexyl-N-ethyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name2-cyclohexyl-N-ethyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine
PubChem CID114711017
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2-cyclohexyl-N-ethyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCCNC1CC(C2CCCCC2)Oc2cc(OC)ccc21
InChIInChI=1S/C18H27NO2/c1-3-19-16-12-17(13-7-5-4-6-8-13)21-18-11-14(20-2)9-10-15(16)18/h9-11,13,16-17,19H,3-8,12H2,1-2H3
InChIKeyZLMMVRMDAARBKH-UHFFFAOYSA-N
XLogP4.08
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-ethyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 2-cyclohexyl-N-ethyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine (CID 114711017) is 2-cyclohexyl-N-ethyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 2-cyclohexyl-N-ethyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 2-cyclohexyl-N-ethyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine is CCNC1CC(C2CCCCC2)Oc2cc(OC)ccc21.
What is the InChIKey of 2-cyclohexyl-N-ethyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is ZLMMVRMDAARBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-3-19-16-12-17(13-7-5-4-6-8-13)21-18-11-14(20-2)9-10-15(16)18/h9-11,13,16-17,19H,3-8,12H2,1-2H3.
What are the key properties of 2-cyclohexyl-N-ethyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine?
2-cyclohexyl-N-ethyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 289.42 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-ethyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114711017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).