2-(3,4-dihydro-2H-chromen-8-yl)-4-ethylcyclohexan-1-amine

C17H25NO — CID 114747529

IUPAC2-(3,4-dihydro-2H-chromen-8-yl)-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(N)C(c2cccc3c2OCCC3)C1
InChIInChI=1S/C17H25NO/c1-2-12-8-9-16(18)15(11-12)14-7-3-5-13-6-4-10-19-17(13)14/h3,5,7,12,15-16H,2,4,6,8-11,18H2,1H3
InChIKeyAGRBHSWGIFVHQL-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.63
Rot. Bonds2

About 2-(3,4-dihydro-2H-chromen-8-yl)-4-ethylcyclohexan-1-amine

2-(3,4-dihydro-2H-chromen-8-yl)-4-ethylcyclohexan-1-amine (PubChem CID 114747529) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-8-yl)-4-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-8-yl)-4-ethylcyclohexan-1-amine
PubChem CID114747529
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name2-(3,4-dihydro-2H-chromen-8-yl)-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(N)C(c2cccc3c2OCCC3)C1
InChIInChI=1S/C17H25NO/c1-2-12-8-9-16(18)15(11-12)14-7-3-5-13-6-4-10-19-17(13)14/h3,5,7,12,15-16H,2,4,6,8-11,18H2,1H3
InChIKeyAGRBHSWGIFVHQL-UHFFFAOYSA-N
XLogP3.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(2,3-dihydro-1-benzofuran-7-yl)-4-ethylcyclohexyl]methyl]ethanamine
CID 114747650
8-(3-bromo-2-methylcyclopentyl)-3,4-dihydro-2H-chromene
CID 114747092
4-ethyl-2-isoquinolin-8-ylcyclohexan-1-amine
CID 103132423
4-ethyl-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 81014823
7-[2-(2-methylpropyl)cyclopropyl]-2,3-dihydro-1-benzofuran
CID 177208812
4-(3,4-dihydro-2H-chromen-8-yl)pentan-2-amine
CID 114746964
N-[[2-(2,3-dihydro-1-benzofuran-7-yl)cyclohexyl]methyl]cyclopropanamine
CID 114747628
2-naphthalen-1-yl-4-propylcyclohexan-1-amine
CID 81014619
N-[[2-(2,3-dihydro-1-benzofuran-7-yl)-4-methylcyclohexyl]methyl]cyclopropanamine
CID 114747647
1-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2-methylpropan-1-amine
CID 114745005
7-(2-bromocycloheptyl)-2,3-dihydro-1-benzofuran
CID 114746748
1-(3,4-dihydro-2H-chromen-8-yl)-2-ethylhexan-1-amine
CID 105049013

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-8-yl)-4-ethylcyclohexan-1-amine?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-8-yl)-4-ethylcyclohexan-1-amine (CID 114747529) is 2-(3,4-dihydro-2H-chromen-8-yl)-4-ethylcyclohexan-1-amine.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-8-yl)-4-ethylcyclohexan-1-amine?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-8-yl)-4-ethylcyclohexan-1-amine is CCC1CCC(N)C(c2cccc3c2OCCC3)C1.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-8-yl)-4-ethylcyclohexan-1-amine?
The InChIKey is AGRBHSWGIFVHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-2-12-8-9-16(18)15(11-12)14-7-3-5-13-6-4-10-19-17(13)14/h3,5,7,12,15-16H,2,4,6,8-11,18H2,1H3.
What are the key properties of 2-(3,4-dihydro-2H-chromen-8-yl)-4-ethylcyclohexan-1-amine?
2-(3,4-dihydro-2H-chromen-8-yl)-4-ethylcyclohexan-1-amine has a molecular weight of 259.39 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-8-yl)-4-ethylcyclohexan-1-amine is sourced from PubChem (CID 114747529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).