N-[[3-(2,3-dihydro-1H-inden-5-yl)furan-2-yl]methyl]ethanamine

C16H19NO — CID 106888690

IUPACN-[[3-(2,3-dihydro-1H-inden-5-yl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1occc1-c1ccc2c(c1)CCC2
InChIInChI=1S/C16H19NO/c1-2-17-11-16-15(8-9-18-16)14-7-6-12-4-3-5-13(12)10-14/h6-10,17H,2-5,11H2,1H3
InChIKeyUECJCTVEOQXYSB-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.54
Rot. Bonds4

About N-[[3-(2,3-dihydro-1H-inden-5-yl)furan-2-yl]methyl]ethanamine

N-[[3-(2,3-dihydro-1H-inden-5-yl)furan-2-yl]methyl]ethanamine (PubChem CID 106888690) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[[3-(2,3-dihydro-1H-inden-5-yl)furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(2,3-dihydro-1H-inden-5-yl)furan-2-yl]methyl]ethanamine
PubChem CID106888690
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC NameN-[[3-(2,3-dihydro-1H-inden-5-yl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1occc1-c1ccc2c(c1)CCC2
InChIInChI=1S/C16H19NO/c1-2-17-11-16-15(8-9-18-16)14-7-6-12-4-3-5-13(12)10-14/h6-10,17H,2-5,11H2,1H3
InChIKeyUECJCTVEOQXYSB-UHFFFAOYSA-N
XLogP3.54
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methyl]ethanamine
CID 63427980
N-[[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]methyl]ethanamine
CID 116898504
N-[[3-(3,4-diethylphenyl)furan-2-yl]methyl]propan-1-amine
CID 106888999
N-[[3-(furan-2-yl)furan-2-yl]methyl]ethanamine
CID 106887249
N-[[3-(2,4-difluoro-5-methylphenyl)furan-2-yl]methyl]ethanamine
CID 106888969
N'-(2,3-dihydro-1H-inden-5-yl)-N-ethylethane-1,2-diamine
CID 115205551
N-[[3-(6-methyl-3-pyridinyl)furan-2-yl]methyl]propan-1-amine
CID 106887175
N-[[3-(3-ethylphenyl)furan-2-yl]methyl]propan-1-amine
CID 106887777
N-[[3-(2,3-dihydro-1H-inden-5-yl)phenyl]methyl]propan-1-amine
CID 63428115
N-[[3-(3-bromophenyl)furan-2-yl]methyl]propan-1-amine
CID 106887819
N-[[3-(1H-pyrrol-2-yl)furan-2-yl]methyl]ethanamine
CID 106888311
N-(2,3-dihydro-1H-inden-5-ylmethyl)propan-1-amine
CID 43163737

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,3-dihydro-1H-inden-5-yl)furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[3-(2,3-dihydro-1H-inden-5-yl)furan-2-yl]methyl]ethanamine (CID 106888690) is N-[[3-(2,3-dihydro-1H-inden-5-yl)furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(2,3-dihydro-1H-inden-5-yl)furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-(2,3-dihydro-1H-inden-5-yl)furan-2-yl]methyl]ethanamine is CCNCc1occc1-c1ccc2c(c1)CCC2.
What is the InChIKey of N-[[3-(2,3-dihydro-1H-inden-5-yl)furan-2-yl]methyl]ethanamine?
The InChIKey is UECJCTVEOQXYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-2-17-11-16-15(8-9-18-16)14-7-6-12-4-3-5-13(12)10-14/h6-10,17H,2-5,11H2,1H3.
What are the key properties of N-[[3-(2,3-dihydro-1H-inden-5-yl)furan-2-yl]methyl]ethanamine?
N-[[3-(2,3-dihydro-1H-inden-5-yl)furan-2-yl]methyl]ethanamine has a molecular weight of 241.33 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,3-dihydro-1H-inden-5-yl)furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 106888690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).