1-cyclohexyl-2-(3,4-dihydro-2H-chromen-4-yl)-N-ethylethanamine

C19H29NO — CID 104770185

IUPAC1-cyclohexyl-2-(3,4-dihydro-2H-chromen-4-yl)-N-ethylethanamine
SMILESCCNC(CC1CCOc2ccccc21)C1CCCCC1
InChIInChI=1S/C19H29NO/c1-2-20-18(15-8-4-3-5-9-15)14-16-12-13-21-19-11-7-6-10-17(16)19/h6-7,10-11,15-16,18,20H,2-5,8-9,12-14H2,1H3
InChIKeyJRNJUAUUCFBHJM-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.50
Rot. Bonds5

About 1-cyclohexyl-2-(3,4-dihydro-2H-chromen-4-yl)-N-ethylethanamine

1-cyclohexyl-2-(3,4-dihydro-2H-chromen-4-yl)-N-ethylethanamine (PubChem CID 104770185) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-cyclohexyl-2-(3,4-dihydro-2H-chromen-4-yl)-N-ethylethanamine.

Molecular Properties

Compound Name1-cyclohexyl-2-(3,4-dihydro-2H-chromen-4-yl)-N-ethylethanamine
PubChem CID104770185
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name1-cyclohexyl-2-(3,4-dihydro-2H-chromen-4-yl)-N-ethylethanamine
SMILESCCNC(CC1CCOc2ccccc21)C1CCCCC1
InChIInChI=1S/C19H29NO/c1-2-20-18(15-8-4-3-5-9-15)14-16-12-13-21-19-11-7-6-10-17(16)19/h6-7,10-11,15-16,18,20H,2-5,8-9,12-14H2,1H3
InChIKeyJRNJUAUUCFBHJM-UHFFFAOYSA-N
XLogP4.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-2-(3,4-dihydro-2H-chromen-4-yl)-N-ethylethanamine
CID 104770384
1-(3,4-dihydro-2H-chromen-4-yl)-N,3-diethylpentan-2-amine
CID 105034256
2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(2-methyloxolan-2-yl)ethanamine
CID 104770514
1-(3,4-dihydro-2H-chromen-4-yl)-N-ethylpentan-2-amine
CID 104770187
1-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-4,4-dimethylpentan-2-amine
CID 104770351
1-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine
CID 104770157
1-cyclohexyl-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-ol
CID 104769305
1-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-5,5,5-trifluoropentan-2-amine
CID 104770504
2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-(thiolan-2-yl)ethanamine
CID 104770544
2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 105034371
2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(furan-3-yl)ethanamine
CID 104770367
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylbutan-2-amine
CID 104770168

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(3,4-dihydro-2H-chromen-4-yl)-N-ethylethanamine?
The IUPAC name of 1-cyclohexyl-2-(3,4-dihydro-2H-chromen-4-yl)-N-ethylethanamine (CID 104770185) is 1-cyclohexyl-2-(3,4-dihydro-2H-chromen-4-yl)-N-ethylethanamine.
What is the SMILES notation for 1-cyclohexyl-2-(3,4-dihydro-2H-chromen-4-yl)-N-ethylethanamine?
The canonical SMILES for 1-cyclohexyl-2-(3,4-dihydro-2H-chromen-4-yl)-N-ethylethanamine is CCNC(CC1CCOc2ccccc21)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(3,4-dihydro-2H-chromen-4-yl)-N-ethylethanamine?
The InChIKey is JRNJUAUUCFBHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-2-20-18(15-8-4-3-5-9-15)14-16-12-13-21-19-11-7-6-10-17(16)19/h6-7,10-11,15-16,18,20H,2-5,8-9,12-14H2,1H3.
What are the key properties of 1-cyclohexyl-2-(3,4-dihydro-2H-chromen-4-yl)-N-ethylethanamine?
1-cyclohexyl-2-(3,4-dihydro-2H-chromen-4-yl)-N-ethylethanamine has a molecular weight of 287.45 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(3,4-dihydro-2H-chromen-4-yl)-N-ethylethanamine is sourced from PubChem (CID 104770185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).