2-cyclohexyl-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylethanamine

C18H27NO — CID 61028266

IUPAC2-cyclohexyl-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylethanamine
SMILESCNC(CC1CCCCC1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C18H27NO/c1-19-17(12-14-6-3-2-4-7-14)15-9-10-18-16(13-15)8-5-11-20-18/h9-10,13-14,17,19H,2-8,11-12H2,1H3
InChIKeyKQWUGGMLWAQSRY-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.24
Rot. Bonds4

About 2-cyclohexyl-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylethanamine

2-cyclohexyl-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylethanamine (PubChem CID 61028266) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-cyclohexyl-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-cyclohexyl-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylethanamine
PubChem CID61028266
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name2-cyclohexyl-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylethanamine
SMILESCNC(CC1CCCCC1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C18H27NO/c1-19-17(12-14-6-3-2-4-7-14)15-9-10-18-16(13-15)8-5-11-20-18/h9-10,13-14,17,19H,2-8,11-12H2,1H3
InChIKeyKQWUGGMLWAQSRY-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cycloheptyl-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 114457518
6-(1-chloro-2-cycloheptylethyl)-3,4-dihydro-2H-chromene
CID 114458684
2-(2-bicyclo[2.2.1]heptanyl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylethanamine
CID 63502032
1-(3,4-dihydro-2H-chromen-6-yl)-N,N'-dimethylpropane-1,3-diamine
CID 116948587
2-cycloheptyl-N-methyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 114457557
2-cyclobutyl-1-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 115863683
2-cyclohexylsulfanyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylethanamine
CID 104542585
2-cyclobutyl-1-(3,4-dihydro-2H-chromen-6-yl)ethanamine
CID 103163028
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(1,3-dioxolan-2-yl)-N-methylethanamine
CID 103547142
5-(1-bromo-2-cycloheptylethyl)-2,3-dihydro-1-benzofuran
CID 114458706
3-cyclohexyl-1-(3,4-dihydro-2H-chromen-6-yl)propan-1-ol
CID 63427036
1-(3,4-dihydro-2H-chromen-6-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207451

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylethanamine?
The IUPAC name of 2-cyclohexyl-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylethanamine (CID 61028266) is 2-cyclohexyl-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylethanamine.
What is the SMILES notation for 2-cyclohexyl-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylethanamine?
The canonical SMILES for 2-cyclohexyl-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylethanamine is CNC(CC1CCCCC1)c1ccc2c(c1)CCCO2.
What is the InChIKey of 2-cyclohexyl-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylethanamine?
The InChIKey is KQWUGGMLWAQSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-19-17(12-14-6-3-2-4-7-14)15-9-10-18-16(13-15)8-5-11-20-18/h9-10,13-14,17,19H,2-8,11-12H2,1H3.
What are the key properties of 2-cyclohexyl-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylethanamine?
2-cyclohexyl-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylethanamine has a molecular weight of 273.42 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylethanamine is sourced from PubChem (CID 61028266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).