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

C12H17NO — CID 117282550

IUPAC2-(4-methoxy-2,3-dihydro-1H-inden-5-yl)ethanamine
SMILESCOc1c(CCN)ccc2c1CCC2
InChIInChI=1S/C12H17NO/c1-14-12-10(7-8-13)6-5-9-3-2-4-11(9)12/h5-6H,2-4,7-8,13H2,1H3
InChIKeyKYBAJIAJDQPFIO-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.69
Rot. Bonds3

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

2-(4-methoxy-2,3-dihydro-1H-inden-5-yl)ethanamine (PubChem CID 117282550) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-(4-methoxy-2,3-dihydro-1H-inden-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4-methoxy-2,3-dihydro-1H-inden-5-yl)ethanamine
PubChem CID117282550
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-(4-methoxy-2,3-dihydro-1H-inden-5-yl)ethanamine
SMILESCOc1c(CCN)ccc2c1CCC2
InChIInChI=1S/C12H17NO/c1-14-12-10(7-8-13)6-5-9-3-2-4-11(9)12/h5-6H,2-4,7-8,13H2,1H3
InChIKeyKYBAJIAJDQPFIO-UHFFFAOYSA-N
XLogP1.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methoxy-2,3-dihydro-1H-inden-5-yl)propan-1-ol
CID 117294953
2-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 117295060
2-(2-aminoethyl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 117282549
3-(4-methoxy-2,3-dihydro-1H-inden-5-yl)butan-1-amine
CID 117313271
2-[6-(2-aminoethyl)-1,5-dimethoxynaphthalen-2-yl]ethanamine
CID 170886567
2-(4-methoxy-1-methyl-2,3-dihydroindol-5-yl)ethanamine
CID 84674503
2-(6,7-dimethoxy-2,3-dihydro-1H-inden-4-yl)ethanamine
CID 54401717
2-[(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]pyrrolidine
CID 117366133
2-(6-ethoxy-7-methoxy-2,3-dihydro-1H-inden-4-yl)ethanamine
CID 54428701
4-(5-methoxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)butan-1-amine
CID 117374655
2-(3-aminopropyl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 117294086
1-[1-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]ethanamine
CID 117366115

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2,3-dihydro-1H-inden-5-yl)ethanamine?
The IUPAC name of 2-(4-methoxy-2,3-dihydro-1H-inden-5-yl)ethanamine (CID 117282550) is 2-(4-methoxy-2,3-dihydro-1H-inden-5-yl)ethanamine.
What is the SMILES notation for 2-(4-methoxy-2,3-dihydro-1H-inden-5-yl)ethanamine?
The canonical SMILES for 2-(4-methoxy-2,3-dihydro-1H-inden-5-yl)ethanamine is COc1c(CCN)ccc2c1CCC2.
What is the InChIKey of 2-(4-methoxy-2,3-dihydro-1H-inden-5-yl)ethanamine?
The InChIKey is KYBAJIAJDQPFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-14-12-10(7-8-13)6-5-9-3-2-4-11(9)12/h5-6H,2-4,7-8,13H2,1H3.
What are the key properties of 2-(4-methoxy-2,3-dihydro-1H-inden-5-yl)ethanamine?
2-(4-methoxy-2,3-dihydro-1H-inden-5-yl)ethanamine has a molecular weight of 191.27 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2,3-dihydro-1H-inden-5-yl)ethanamine is sourced from PubChem (CID 117282550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).