(3-cyclopropyl-7-methoxy-1-methylindol-2-yl)methanamine

C14H18N2O — CID 83918424

IUPAC(3-cyclopropyl-7-methoxy-1-methylindol-2-yl)methanamine
SMILESCOc1cccc2c(C3CC3)c(CN)n(C)c12
InChIInChI=1S/C14H18N2O/c1-16-11(8-15)13(9-6-7-9)10-4-3-5-12(17-2)14(10)16/h3-5,9H,6-8,15H2,1-2H3
InChIKeyPFRHTPYKDHGYRD-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.52
Rot. Bonds3

About (3-cyclopropyl-7-methoxy-1-methylindol-2-yl)methanamine

(3-cyclopropyl-7-methoxy-1-methylindol-2-yl)methanamine (PubChem CID 83918424) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is (3-cyclopropyl-7-methoxy-1-methylindol-2-yl)methanamine.

Molecular Properties

Compound Name(3-cyclopropyl-7-methoxy-1-methylindol-2-yl)methanamine
PubChem CID83918424
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name(3-cyclopropyl-7-methoxy-1-methylindol-2-yl)methanamine
SMILESCOc1cccc2c(C3CC3)c(CN)n(C)c12
InChIInChI=1S/C14H18N2O/c1-16-11(8-15)13(9-6-7-9)10-4-3-5-12(17-2)14(10)16/h3-5,9H,6-8,15H2,1-2H3
InChIKeyPFRHTPYKDHGYRD-UHFFFAOYSA-N
XLogP2.52
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-bromo-7-methoxy-1-methylindol-2-yl)methanol
CID 115050313
3-(7-methoxy-1,2-dimethylindol-3-yl)propan-1-amine
CID 82495855
3-bromo-7-methoxy-1-methyl-2-piperidin-4-ylindole
CID 84646062
N-[2-(7-methoxy-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine
CID 96677257
2-cyclopropyl-1-fluoro-3-methoxybenzene
CID 144811064
1-(7-methoxy-1,2-dimethylindol-3-yl)propan-2-amine
CID 82495856
8-methoxy-9-methylpyrido[3,4-b]indol-1-amine
CID 115036068
[1-(7-methoxy-1-methylindol-3-yl)cyclohexyl]methanamine
CID 95432617
2-(7-methoxy-3-methylindazol-1-yl)ethanamine
CID 84673302
1-cyclopropyl-2,3-dimethoxybenzene
CID 22923325
(5-methoxynaphthalen-1-yl)methanamine
CID 59401298
2-cyclopropyl-5-(2,3-dimethoxyphenyl)-3-methylimidazol-4-amine
CID 62219821

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyl-7-methoxy-1-methylindol-2-yl)methanamine?
The IUPAC name of (3-cyclopropyl-7-methoxy-1-methylindol-2-yl)methanamine (CID 83918424) is (3-cyclopropyl-7-methoxy-1-methylindol-2-yl)methanamine.
What is the SMILES notation for (3-cyclopropyl-7-methoxy-1-methylindol-2-yl)methanamine?
The canonical SMILES for (3-cyclopropyl-7-methoxy-1-methylindol-2-yl)methanamine is COc1cccc2c(C3CC3)c(CN)n(C)c12.
What is the InChIKey of (3-cyclopropyl-7-methoxy-1-methylindol-2-yl)methanamine?
The InChIKey is PFRHTPYKDHGYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-16-11(8-15)13(9-6-7-9)10-4-3-5-12(17-2)14(10)16/h3-5,9H,6-8,15H2,1-2H3.
What are the key properties of (3-cyclopropyl-7-methoxy-1-methylindol-2-yl)methanamine?
(3-cyclopropyl-7-methoxy-1-methylindol-2-yl)methanamine has a molecular weight of 230.31 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-7-methoxy-1-methylindol-2-yl)methanamine is sourced from PubChem (CID 83918424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).