1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-1-(oxan-4-yl)methanamine

C16H23NO — CID 65410719

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-1-(oxan-4-yl)methanamine
SMILESCNC(C1CCOCC1)C1Cc2ccccc2C1
InChIInChI=1S/C16H23NO/c1-17-16(12-6-8-18-9-7-12)15-10-13-4-2-3-5-14(13)11-15/h2-5,12,15-17H,6-11H2,1H3
InChIKeyKZDRFGWTLFALCV-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.42
Rot. Bonds3

About 1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-1-(oxan-4-yl)methanamine

1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-1-(oxan-4-yl)methanamine (PubChem CID 65410719) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-1-(oxan-4-yl)methanamine
PubChem CID65410719
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-1-(oxan-4-yl)methanamine
SMILESCNC(C1CCOCC1)C1Cc2ccccc2C1
InChIInChI=1S/C16H23NO/c1-17-16(12-6-8-18-9-7-12)15-10-13-4-2-3-5-14(13)11-15/h2-5,12,15-17H,6-11H2,1H3
InChIKeyKZDRFGWTLFALCV-UHFFFAOYSA-N
XLogP2.42
TPSA21.26 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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[oxan-4-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]propan-1-amine
CID 65404987
N-methyl-1-(oxan-4-yl)-1-(oxolan-3-yl)methanamine
CID 65330243
1-cycloheptyl-N-methyl-1-(oxan-4-yl)methanamine
CID 65399325
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methyl-1-(oxan-4-yl)methanamine
CID 65352612
[cyclopropyl(2,3-dihydro-1H-inden-2-yl)methyl]hydrazine
CID 105234078
2,3-dihydro-1H-inden-2-yl(oxolan-3-yl)methanamine
CID 65411493
[2,3-dihydro-1-benzofuran-2-yl(oxan-4-yl)methyl]hydrazine
CID 105262895
N-methyl-1-(2-methylcyclopropyl)-1-(oxan-4-yl)methanamine
CID 65421926
[cycloheptyl(2,3-dihydro-1H-inden-2-yl)methyl]hydrazine
CID 105234162
[2,3-dihydro-1H-inden-1-yl(oxan-4-yl)methyl]hydrazine
CID 105234384
oxolan-3-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methanol
CID 65412556
1-cyclooctyl-N-methyl-1-(oxolan-3-yl)methanamine
CID 80603950

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-1-(oxan-4-yl)methanamine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-1-(oxan-4-yl)methanamine (CID 65410719) is 1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-1-(oxan-4-yl)methanamine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-1-(oxan-4-yl)methanamine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-1-(oxan-4-yl)methanamine is CNC(C1CCOCC1)C1Cc2ccccc2C1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-1-(oxan-4-yl)methanamine?
The InChIKey is KZDRFGWTLFALCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-17-16(12-6-8-18-9-7-12)15-10-13-4-2-3-5-14(13)11-15/h2-5,12,15-17H,6-11H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-1-(oxan-4-yl)methanamine?
1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-1-(oxan-4-yl)methanamine has a molecular weight of 245.37 g/mol, XLogP of 2.42, 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-2-yl)-N-methyl-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 65410719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).