cyclopropyl-(7-methoxy-2-methyl-1H-indol-3-yl)methanamine

C14H18N2O — CID 82279330

IUPACcyclopropyl-(7-methoxy-2-methyl-1H-indol-3-yl)methanamine
SMILESCOc1cccc2c(C(N)C3CC3)c(C)[nH]c12
InChIInChI=1S/C14H18N2O/c1-8-12(13(15)9-6-7-9)10-4-3-5-11(17-2)14(10)16-8/h3-5,9,13,16H,6-7,15H2,1-2H3
InChIKeySGMFUJLVMYRXTH-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.89
Rot. Bonds3

About cyclopropyl-(7-methoxy-2-methyl-1H-indol-3-yl)methanamine

cyclopropyl-(7-methoxy-2-methyl-1H-indol-3-yl)methanamine (PubChem CID 82279330) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is cyclopropyl-(7-methoxy-2-methyl-1H-indol-3-yl)methanamine.

Molecular Properties

Compound Namecyclopropyl-(7-methoxy-2-methyl-1H-indol-3-yl)methanamine
PubChem CID82279330
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Namecyclopropyl-(7-methoxy-2-methyl-1H-indol-3-yl)methanamine
SMILESCOc1cccc2c(C(N)C3CC3)c(C)[nH]c12
InChIInChI=1S/C14H18N2O/c1-8-12(13(15)9-6-7-9)10-4-3-5-11(17-2)14(10)16-8/h3-5,9,13,16H,6-7,15H2,1-2H3
InChIKeySGMFUJLVMYRXTH-UHFFFAOYSA-N
XLogP2.89
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.89
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

(R)-cyclopropyl-(2,6-dimethoxyphenyl)methanamine
CID 171201185
(S)-cyclopropyl-(2,6-dimethoxyphenyl)methanamine;hydrochloride
CID 171220722
cyclopropyl-(2-methoxy-6-methylphenyl)methanamine;hydrochloride
CID 167712997
cyclopentyl-(7-ethyl-2-methyl-1H-indol-3-yl)methanamine
CID 82279356
1-(7-methoxy-2-methyl-1H-indol-3-yl)-N-methylethanamine
CID 65333048
cyclopropyl-(2-fluoro-6-methoxyphenyl)methanamine
CID 55269614
(R)-cyclopropyl-(2-methoxyphenyl)methanamine
CID 45072420
(R)-cyclopropyl-(2-methoxynaphthalen-1-yl)methanamine;hydrochloride
CID 171212946
2-[(S)-amino(cyclohexyl)methyl]-3-methoxyphenol
CID 171235941
cyclopentyl-(5-fluoro-2-methyl-1H-indol-3-yl)methanamine
CID 82279350
7-methoxy-2-methyl-3-pyrrolidin-3-yl-1H-indole
CID 82278186
(2-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine
CID 65423601

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(7-methoxy-2-methyl-1H-indol-3-yl)methanamine?
The IUPAC name of cyclopropyl-(7-methoxy-2-methyl-1H-indol-3-yl)methanamine (CID 82279330) is cyclopropyl-(7-methoxy-2-methyl-1H-indol-3-yl)methanamine.
What is the SMILES notation for cyclopropyl-(7-methoxy-2-methyl-1H-indol-3-yl)methanamine?
The canonical SMILES for cyclopropyl-(7-methoxy-2-methyl-1H-indol-3-yl)methanamine is COc1cccc2c(C(N)C3CC3)c(C)[nH]c12.
What is the InChIKey of cyclopropyl-(7-methoxy-2-methyl-1H-indol-3-yl)methanamine?
The InChIKey is SGMFUJLVMYRXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-8-12(13(15)9-6-7-9)10-4-3-5-11(17-2)14(10)16-8/h3-5,9,13,16H,6-7,15H2,1-2H3.
What are the key properties of cyclopropyl-(7-methoxy-2-methyl-1H-indol-3-yl)methanamine?
cyclopropyl-(7-methoxy-2-methyl-1H-indol-3-yl)methanamine has a molecular weight of 230.31 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(7-methoxy-2-methyl-1H-indol-3-yl)methanamine is sourced from PubChem (CID 82279330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).