3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3,4-dihydro-2H-chromen-4-amine

C18H26N2O — CID 43620329

IUPAC3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESNC1c2ccccc2OCC1N1CCC2CCCCC2C1
InChIInChI=1S/C18H26N2O/c19-18-15-7-3-4-8-17(15)21-12-16(18)20-10-9-13-5-1-2-6-14(13)11-20/h3-4,7-8,13-14,16,18H,1-2,5-6,9-12,19H2
InChIKeyRQNHISTVHQFLON-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.96
Rot. Bonds1

About 3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3,4-dihydro-2H-chromen-4-amine

3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43620329) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID43620329
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESNC1c2ccccc2OCC1N1CCC2CCCCC2C1
InChIInChI=1S/C18H26N2O/c19-18-15-7-3-4-8-17(15)21-12-16(18)20-10-9-13-5-1-2-6-14(13)11-20/h3-4,7-8,13-14,16,18H,1-2,5-6,9-12,19H2
InChIKeyRQNHISTVHQFLON-UHFFFAOYSA-N
XLogP2.96
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3,4-dihydro-2H-chromen-4-amine with MolForge

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Related Compounds

1-Benzyl-4-chroman-2-ylmethyl-piperazine
CID 10758200
1-(2-(2-Ethoxyphenyl)-1-phenylethyl)piperazine
CID 11289879
1-(1-Phenyl-2-(2-propoxyphenyl)ethyl)piperazine
CID 44414723
(2-Isopropoxy-benzyl)-((2S,3S)-2-phenyl-piperidin-3-yl)-amine
CID 10268178
(R)-1-(2-(2-ethoxyphenyl)-1-phenylethyl)piperazine hydrochloride
CID 16043230
1-Benzyl-4-chroman-3-ylmethyl-piperazine
CID 11338418
(S)-4-(4-methoxyphenyl)-2-methyl-7-(3-((S)-3-methylmorpholino)propoxy)-1,2,3,4-tetrahydroisoquinoline
CID 44439863
(2-Benzhydryl-piperidin-3-yl)-(2-methoxy-benzyl)-amine
CID 10091563
1-Propyl-2,3,10,10a-tetrahydro-1H-9-oxa-1-aza-phenanthrene
CID 14151683
8-(3-(Piperidin-1-yl)propoxy)-1,2,3,4-tetrahydroisoquinoline
CID 44412649
2-(Cyclohexylmethyl)-8-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydroisoquinoline
CID 44412714
2-Ethyl-5-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydroisoquinoline
CID 44412745

Frequently Asked Questions

What is the IUPAC name of 3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3,4-dihydro-2H-chromen-4-amine (CID 43620329) is 3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3,4-dihydro-2H-chromen-4-amine is NC1c2ccccc2OCC1N1CCC2CCCCC2C1.
What is the InChIKey of 3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is RQNHISTVHQFLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c19-18-15-7-3-4-8-17(15)21-12-16(18)20-10-9-13-5-1-2-6-14(13)11-20/h3-4,7-8,13-14,16,18H,1-2,5-6,9-12,19H2.
What are the key properties of 3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3,4-dihydro-2H-chromen-4-amine?
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 286.42 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43620329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).