1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-4-yl)ethanamine

C16H23NO — CID 115846820

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-4-yl)ethanamine
SMILESNC(CC1CCOCC1)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H23NO/c17-16(10-12-6-8-18-9-7-12)15-5-4-13-2-1-3-14(13)11-15/h4-5,11-12,16H,1-3,6-10,17H2
InChIKeyBKHWYVTXXLHAHY-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.99
Rot. Bonds3

About 1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-4-yl)ethanamine

1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-4-yl)ethanamine (PubChem CID 115846820) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-4-yl)ethanamine
PubChem CID115846820
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-4-yl)ethanamine
SMILESNC(CC1CCOCC1)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H23NO/c17-16(10-12-6-8-18-9-7-12)15-5-4-13-2-1-3-14(13)11-15/h4-5,11-12,16H,1-3,6-10,17H2
InChIKeyBKHWYVTXXLHAHY-UHFFFAOYSA-N
XLogP2.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclobutyl-1-(3,4-dihydro-2H-chromen-6-yl)ethanamine
CID 103163028
1-(3-fluoro-4-methylphenyl)-2-(oxan-4-yl)ethanamine
CID 62601835
2-morpholin-3-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 116941460
1-(3-fluorophenyl)-2-(oxan-4-yl)ethanamine;hydrochloride
CID 131637584
(1R)-2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine;hydrochloride
CID 171202488
2-pyrrolidin-2-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 116935941
1-(2,3-dihydro-1H-inden-5-yl)pent-4-en-1-amine
CID 104987476
2,3-dihydro-1H-inden-5-ylmethanediamine
CID 116939135
1-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine
CID 116932733
1-(5-bromothiophen-3-yl)-2-(oxan-4-yl)ethanamine
CID 105138713
2-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 115841589
1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 115846765

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-4-yl)ethanamine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-4-yl)ethanamine (CID 115846820) is 1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-4-yl)ethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-4-yl)ethanamine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-4-yl)ethanamine is NC(CC1CCOCC1)c1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-4-yl)ethanamine?
The InChIKey is BKHWYVTXXLHAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c17-16(10-12-6-8-18-9-7-12)15-5-4-13-2-1-3-14(13)11-15/h4-5,11-12,16H,1-3,6-10,17H2.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-4-yl)ethanamine?
1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-4-yl)ethanamine has a molecular weight of 245.37 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-4-yl)ethanamine is sourced from PubChem (CID 115846820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).