2-[(5-methoxy-1-methylindol-3-yl)methyl]cyclopentan-1-amine

C16H22N2O — CID 84637267

IUPAC2-[(5-methoxy-1-methylindol-3-yl)methyl]cyclopentan-1-amine
SMILESCOc1ccc2c(c1)c(CC1CCCC1N)cn2C
InChIInChI=1S/C16H22N2O/c1-18-10-12(8-11-4-3-5-15(11)17)14-9-13(19-2)6-7-16(14)18/h6-7,9-11,15H,3-5,8,17H2,1-2H3
InChIKeySLYJEUHTTKCCAY-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.86
Rot. Bonds3

About 2-[(5-methoxy-1-methylindol-3-yl)methyl]cyclopentan-1-amine

2-[(5-methoxy-1-methylindol-3-yl)methyl]cyclopentan-1-amine (PubChem CID 84637267) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[(5-methoxy-1-methylindol-3-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-[(5-methoxy-1-methylindol-3-yl)methyl]cyclopentan-1-amine
PubChem CID84637267
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name2-[(5-methoxy-1-methylindol-3-yl)methyl]cyclopentan-1-amine
SMILESCOc1ccc2c(c1)c(CC1CCCC1N)cn2C
InChIInChI=1S/C16H22N2O/c1-18-10-12(8-11-4-3-5-15(11)17)14-9-13(19-2)6-7-16(14)18/h6-7,9-11,15H,3-5,8,17H2,1-2H3
InChIKeySLYJEUHTTKCCAY-UHFFFAOYSA-N
XLogP2.86
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-chloro-1-methylindol-3-yl)methyl]cyclopentan-1-ol
CID 84639329
(2S)-4-(5-methoxy-1-methylindol-3-yl)butan-2-amine
CID 96673434
5-methoxy-1-methyl-3-(2-piperazin-1-ylethyl)indole
CID 95432828
N-ethyl-2-(5-methoxy-1-methylindol-3-yl)ethanamine
CID 96673433
1-(5-methoxy-1-methylindol-3-yl)ethane-1,2-diamine
CID 170894776
2-[(6-methoxy-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-amine
CID 84637405
3-bromo-5-methoxy-1-methylindole
CID 67003649
6-methoxy-1-methyl-3-(piperazin-2-ylmethyl)indole
CID 84637870
3-(1,3-dioxolan-2-yl)-5-methoxy-1-methylindole
CID 131009926
6-methoxy-1-methyl-3-(methylsulfonylmethyl)quinolin-4-one
CID 12807853
2-[(2-bromo-5-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine
CID 65323362
(5-methoxy-1-methylindol-3-yl)boronic acid
CID 58933386

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methoxy-1-methylindol-3-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 2-[(5-methoxy-1-methylindol-3-yl)methyl]cyclopentan-1-amine (CID 84637267) is 2-[(5-methoxy-1-methylindol-3-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 2-[(5-methoxy-1-methylindol-3-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 2-[(5-methoxy-1-methylindol-3-yl)methyl]cyclopentan-1-amine is COc1ccc2c(c1)c(CC1CCCC1N)cn2C.
What is the InChIKey of 2-[(5-methoxy-1-methylindol-3-yl)methyl]cyclopentan-1-amine?
The InChIKey is SLYJEUHTTKCCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-18-10-12(8-11-4-3-5-15(11)17)14-9-13(19-2)6-7-16(14)18/h6-7,9-11,15H,3-5,8,17H2,1-2H3.
What are the key properties of 2-[(5-methoxy-1-methylindol-3-yl)methyl]cyclopentan-1-amine?
2-[(5-methoxy-1-methylindol-3-yl)methyl]cyclopentan-1-amine has a molecular weight of 258.36 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methoxy-1-methylindol-3-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 84637267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).