2-cyclohexyl-1-(3,4-dihydro-1H-isochromen-1-yl)ethanamine

C17H25NO — CID 105135467

IUPAC2-cyclohexyl-1-(3,4-dihydro-1H-isochromen-1-yl)ethanamine
SMILESNC(CC1CCCCC1)C1OCCc2ccccc21
InChIInChI=1S/C17H25NO/c18-16(12-13-6-2-1-3-7-13)17-15-9-5-4-8-14(15)10-11-19-17/h4-5,8-9,13,16-17H,1-3,6-7,10-12,18H2
InChIKeyHIPRSFFKUQJQSM-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.60
Rot. Bonds3

About 2-cyclohexyl-1-(3,4-dihydro-1H-isochromen-1-yl)ethanamine

2-cyclohexyl-1-(3,4-dihydro-1H-isochromen-1-yl)ethanamine (PubChem CID 105135467) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-cyclohexyl-1-(3,4-dihydro-1H-isochromen-1-yl)ethanamine.

Molecular Properties

Compound Name2-cyclohexyl-1-(3,4-dihydro-1H-isochromen-1-yl)ethanamine
PubChem CID105135467
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name2-cyclohexyl-1-(3,4-dihydro-1H-isochromen-1-yl)ethanamine
SMILESNC(CC1CCCCC1)C1OCCc2ccccc21
InChIInChI=1S/C17H25NO/c18-16(12-13-6-2-1-3-7-13)17-15-9-5-4-8-14(15)10-11-19-17/h4-5,8-9,13,16-17H,1-3,6-7,10-12,18H2
InChIKeyHIPRSFFKUQJQSM-UHFFFAOYSA-N
XLogP3.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[(1R)-3,4-dihydro-1H-isochromen-1-yl]propan-1-amine
CID 919561
1-(3,4-dihydro-1H-isochromen-1-yl)propan-1-amine
CID 546897
cyclohexyl(3,4-dihydro-1H-isochromen-1-yl)methanol
CID 105100583
2-cyclopentyl-1-(2,3-dihydro-1H-inden-1-yl)ethanamine
CID 65405512
1-(3,4-dihydro-1H-isochromen-1-yl)-4,4-dimethylpentan-1-amine
CID 105139926
[1-cycloheptyl-2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]hydrazine
CID 114984729
2-(4-chlorophenyl)-1-(3,4-dihydro-1H-isochromen-1-yl)ethanamine
CID 105085210
1-(3,4-dihydro-1H-isochromen-1-yl)heptan-1-amine
CID 105125796
1-(3,4-dihydro-1H-isochromen-1-yl)-2-(2-fluorophenyl)ethanamine
CID 105090028
N-[cyclopentyl(3,4-dihydro-1H-isochromen-1-yl)methyl]ethanamine
CID 105080766
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-cyclopentylethanamine
CID 64984186
1-(3,4-dihydro-1H-isochromen-1-yl)-3-methylbut-2-en-1-amine
CID 105163207

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(3,4-dihydro-1H-isochromen-1-yl)ethanamine?
The IUPAC name of 2-cyclohexyl-1-(3,4-dihydro-1H-isochromen-1-yl)ethanamine (CID 105135467) is 2-cyclohexyl-1-(3,4-dihydro-1H-isochromen-1-yl)ethanamine.
What is the SMILES notation for 2-cyclohexyl-1-(3,4-dihydro-1H-isochromen-1-yl)ethanamine?
The canonical SMILES for 2-cyclohexyl-1-(3,4-dihydro-1H-isochromen-1-yl)ethanamine is NC(CC1CCCCC1)C1OCCc2ccccc21.
What is the InChIKey of 2-cyclohexyl-1-(3,4-dihydro-1H-isochromen-1-yl)ethanamine?
The InChIKey is HIPRSFFKUQJQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c18-16(12-13-6-2-1-3-7-13)17-15-9-5-4-8-14(15)10-11-19-17/h4-5,8-9,13,16-17H,1-3,6-7,10-12,18H2.
What are the key properties of 2-cyclohexyl-1-(3,4-dihydro-1H-isochromen-1-yl)ethanamine?
2-cyclohexyl-1-(3,4-dihydro-1H-isochromen-1-yl)ethanamine has a molecular weight of 259.39 g/mol, XLogP of 3.60, 3 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-1H-isochromen-1-yl)ethanamine is sourced from PubChem (CID 105135467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).