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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Related Compounds

N-ethyl-7-methoxy-2-propyl-3,4-dihydro-2H-chromen-4-amine
CID 114711038
N-ethyl-7-methoxy-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114710968
(4R)-2-cyclohexyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104947068
2-cyclohex-3-en-1-yl-7-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114710914
7-bromo-2-cyclobutyl-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 114711926
2-cyclopropyl-6-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114712990
2-cyclopropyl-N,2-diethyl-7-methoxy-3,4-dihydrochromen-4-amine
CID 114710996
N-ethyl-7-methoxy-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114711040
7-methoxy-2-(4-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
CID 114708777
(4R)-7-methoxy-2-(oxan-3-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104948605
N-ethyl-6-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-amine
CID 114713010
N-ethyl-7-methoxy-2-methyl-2-(1-methylcyclopropyl)-3,4-dihydrochromen-4-amine
CID 114710986

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).