6-methoxy-N-[(1-methylpiperidin-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine

C17H26N2O — CID 79366677

IUPAC6-methoxy-N-[(1-methylpiperidin-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)C(NCC1CCCN(C)C1)CC2
InChIInChI=1S/C17H26N2O/c1-19-9-3-4-13(12-19)11-18-17-8-6-14-5-7-15(20-2)10-16(14)17/h5,7,10,13,17-18H,3-4,6,8-9,11-12H2,1-2H3
InChIKeyRAHCTMFJNVENQV-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.61
Rot. Bonds4

About 6-methoxy-N-[(1-methylpiperidin-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine

6-methoxy-N-[(1-methylpiperidin-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 79366677) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 6-methoxy-N-[(1-methylpiperidin-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name6-methoxy-N-[(1-methylpiperidin-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID79366677
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name6-methoxy-N-[(1-methylpiperidin-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)C(NCC1CCCN(C)C1)CC2
InChIInChI=1S/C17H26N2O/c1-19-9-3-4-13(12-19)11-18-17-8-6-14-5-7-15(20-2)10-16(14)17/h5,7,10,13,17-18H,3-4,6,8-9,11-12H2,1-2H3
InChIKeyRAHCTMFJNVENQV-UHFFFAOYSA-N
XLogP2.61
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79370220
6-methoxy-N-[(4-methylmorpholin-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 79367337
3-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-1-methylpiperidine
CID 178102694
ethane;(1R)-6-methoxy-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
CID 144639263
6-methoxy-N-(oxan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 79366136
4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 106840756
N-cyclopropyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366110
N-(3-ethoxypropyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79367214
4-[[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenol
CID 115715635
N-[(4-fluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366842
6-methoxy-N-(2-propan-2-yloxyethyl)-2,3-dihydro-1H-inden-1-amine
CID 113429607
6-methoxy-N-[(1-methylsulfanylcyclobutyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 107269775

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(1-methylpiperidin-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 6-methoxy-N-[(1-methylpiperidin-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine (CID 79366677) is 6-methoxy-N-[(1-methylpiperidin-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 6-methoxy-N-[(1-methylpiperidin-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 6-methoxy-N-[(1-methylpiperidin-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine is COc1ccc2c(c1)C(NCC1CCCN(C)C1)CC2.
What is the InChIKey of 6-methoxy-N-[(1-methylpiperidin-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is RAHCTMFJNVENQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-19-9-3-4-13(12-19)11-18-17-8-6-14-5-7-15(20-2)10-16(14)17/h5,7,10,13,17-18H,3-4,6,8-9,11-12H2,1-2H3.
What are the key properties of 6-methoxy-N-[(1-methylpiperidin-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine?
6-methoxy-N-[(1-methylpiperidin-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 274.41 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(1-methylpiperidin-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 79366677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).