2-[(6-methoxy-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-amine

C16H22N2O — CID 84637405

IUPAC2-[(6-methoxy-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-amine
SMILESCOc1ccc2c(CC3CCCC3N)c(C)[nH]c2c1
InChIInChI=1S/C16H22N2O/c1-10-14(8-11-4-3-5-15(11)17)13-7-6-12(19-2)9-16(13)18-10/h6-7,9,11,15,18H,3-5,8,17H2,1-2H3
InChIKeyMWZZMQAVYCZOAV-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.15
Rot. Bonds3

About 2-[(6-methoxy-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-amine

2-[(6-methoxy-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-amine (PubChem CID 84637405) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[(6-methoxy-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-[(6-methoxy-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-amine
PubChem CID84637405
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name2-[(6-methoxy-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-amine
SMILESCOc1ccc2c(CC3CCCC3N)c(C)[nH]c2c1
InChIInChI=1S/C16H22N2O/c1-10-14(8-11-4-3-5-15(11)17)13-7-6-12(19-2)9-16(13)18-10/h6-7,9,11,15,18H,3-5,8,17H2,1-2H3
InChIKeyMWZZMQAVYCZOAV-UHFFFAOYSA-N
XLogP3.15
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-ol
CID 84637812
2-[(6-methoxy-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-one
CID 84636641
2-(6-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 70238324
2-[(5-fluoro-2-methyl-1H-indol-3-yl)methyl]cyclohexan-1-amine
CID 84638269
2-(6-methoxy-2-methyl-1H-indol-3-yl)ethanol
CID 50923036
2-[(6-fluoro-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-ol
CID 84632825
2-[(5-methoxy-1-methylindol-3-yl)methyl]cyclopentan-1-amine
CID 84637267
2-(3-cyclopentyl-7-methoxy-2-oxo-1H-quinolin-4-yl)acetamide
CID 69133416
6-cyclopropyloxy-2,3-dimethyl-1H-indole
CID 156561443
(7-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)methanamine
CID 84626254
6-methoxy-2-methyl-3-propyl-1H-quinoline-4-thione
CID 790258
3-[2-(4-cyclohexylpiperidin-1-yl)ethyl]-5-methoxy-2-methyl-1H-indole
CID 21313343

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 2-[(6-methoxy-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-amine (CID 84637405) is 2-[(6-methoxy-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 2-[(6-methoxy-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 2-[(6-methoxy-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-amine is COc1ccc2c(CC3CCCC3N)c(C)[nH]c2c1.
What is the InChIKey of 2-[(6-methoxy-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-amine?
The InChIKey is MWZZMQAVYCZOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-10-14(8-11-4-3-5-15(11)17)13-7-6-12(19-2)9-16(13)18-10/h6-7,9,11,15,18H,3-5,8,17H2,1-2H3.
What are the key properties of 2-[(6-methoxy-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-amine?
2-[(6-methoxy-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-amine has a molecular weight of 258.36 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 84637405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).