6-methoxy-N-(oxan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine

C16H23NO2 — CID 79366136

IUPAC6-methoxy-N-(oxan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)C(NCC1CCCCO1)CC2
InChIInChI=1S/C16H23NO2/c1-18-13-7-5-12-6-8-16(15(12)10-13)17-11-14-4-2-3-9-19-14/h5,7,10,14,16-17H,2-4,6,8-9,11H2,1H3
InChIKeyOTSPTQMNZLYZRU-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.84
Rot. Bonds4

About 6-methoxy-N-(oxan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine

6-methoxy-N-(oxan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 79366136) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 6-methoxy-N-(oxan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name6-methoxy-N-(oxan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID79366136
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name6-methoxy-N-(oxan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)C(NCC1CCCCO1)CC2
InChIInChI=1S/C16H23NO2/c1-18-13-7-5-12-6-8-16(15(12)10-13)17-11-14-4-2-3-9-19-14/h5,7,10,14,16-17H,2-4,6,8-9,11H2,1H3
InChIKeyOTSPTQMNZLYZRU-UHFFFAOYSA-N
XLogP2.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-N-[(4-methylmorpholin-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 79367337
6-methoxy-N-[(1-methylpiperidin-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 79366677
ethane;(1R)-6-methoxy-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
CID 144639263
N-[(4-fluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366842
4-[[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenol
CID 115715635
4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 106840756
N-[(3-chloro-4-fluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79370048
N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79370220
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
N-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79240006
6-methoxy-N-(2-propan-2-yloxyethyl)-2,3-dihydro-1H-inden-1-amine
CID 113429607

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(oxan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 6-methoxy-N-(oxan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine (CID 79366136) is 6-methoxy-N-(oxan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 6-methoxy-N-(oxan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 6-methoxy-N-(oxan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine is COc1ccc2c(c1)C(NCC1CCCCO1)CC2.
What is the InChIKey of 6-methoxy-N-(oxan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is OTSPTQMNZLYZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-18-13-7-5-12-6-8-16(15(12)10-13)17-11-14-4-2-3-9-19-14/h5,7,10,14,16-17H,2-4,6,8-9,11H2,1H3.
What are the key properties of 6-methoxy-N-(oxan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
6-methoxy-N-(oxan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 261.36 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(oxan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 79366136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).