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

C12H17NO2 — CID 117296336

IUPACN-methoxy-1-(5-methoxy-2,3-dihydro-1H-inden-4-yl)methanamine
SMILESCONCc1c(OC)ccc2c1CCC2
InChIInChI=1S/C12H17NO2/c1-14-12-7-6-9-4-3-5-10(9)11(12)8-13-15-2/h6-7,13H,3-5,8H2,1-2H3
InChIKeyZBXVBOLEKPQAKM-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.83
Rot. Bonds4

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

N-methoxy-1-(5-methoxy-2,3-dihydro-1H-inden-4-yl)methanamine (PubChem CID 117296336) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-methoxy-1-(5-methoxy-2,3-dihydro-1H-inden-4-yl)methanamine.

Molecular Properties

Compound NameN-methoxy-1-(5-methoxy-2,3-dihydro-1H-inden-4-yl)methanamine
PubChem CID117296336
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-methoxy-1-(5-methoxy-2,3-dihydro-1H-inden-4-yl)methanamine
SMILESCONCc1c(OC)ccc2c1CCC2
InChIInChI=1S/C12H17NO2/c1-14-12-7-6-9-4-3-5-10(9)11(12)8-13-15-2/h6-7,13H,3-5,8H2,1-2H3
InChIKeyZBXVBOLEKPQAKM-UHFFFAOYSA-N
XLogP1.83
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(methoxyamino)methyl]-2,3-dihydro-1H-inden-5-ol
CID 117283819
(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)methanol
CID 84674437
N-methoxy-1-(5,6,7,8-tetrahydronaphthalen-1-yl)methanamine
CID 54347054
1-[(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)methyl]cyclopropan-1-ol
CID 117368497
(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)methanesulfonyl chloride
CID 117466523
3-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methylpropanoic acid
CID 117373999
[1-(5-methoxy-2,3-dihydro-1H-inden-4-yl)cyclobutyl]methanamine
CID 117334912
1-(2-ethoxy-6-methoxyphenyl)-N-methoxymethanamine
CID 117301707
4-methoxy-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 153201426
1-(6-ethyl-2,3-dimethoxyphenyl)-N-methoxymethanamine
CID 117323985
1-(6-chloro-2-fluoro-3-methoxyphenyl)-N-methoxymethanamine
CID 117313541
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methoxy-2,3-dihydro-1H-indene-4-carboxamide
CID 166313224

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-(5-methoxy-2,3-dihydro-1H-inden-4-yl)methanamine?
The IUPAC name of N-methoxy-1-(5-methoxy-2,3-dihydro-1H-inden-4-yl)methanamine (CID 117296336) is N-methoxy-1-(5-methoxy-2,3-dihydro-1H-inden-4-yl)methanamine.
What is the SMILES notation for N-methoxy-1-(5-methoxy-2,3-dihydro-1H-inden-4-yl)methanamine?
The canonical SMILES for N-methoxy-1-(5-methoxy-2,3-dihydro-1H-inden-4-yl)methanamine is CONCc1c(OC)ccc2c1CCC2.
What is the InChIKey of N-methoxy-1-(5-methoxy-2,3-dihydro-1H-inden-4-yl)methanamine?
The InChIKey is ZBXVBOLEKPQAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-14-12-7-6-9-4-3-5-10(9)11(12)8-13-15-2/h6-7,13H,3-5,8H2,1-2H3.
What are the key properties of N-methoxy-1-(5-methoxy-2,3-dihydro-1H-inden-4-yl)methanamine?
N-methoxy-1-(5-methoxy-2,3-dihydro-1H-inden-4-yl)methanamine has a molecular weight of 207.27 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-(5-methoxy-2,3-dihydro-1H-inden-4-yl)methanamine is sourced from PubChem (CID 117296336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).