1-(5-methoxy-2,3-dimethyl-1H-indol-4-yl)cyclopropan-1-amine

C14H18N2O — CID 84793739

IUPAC1-(5-methoxy-2,3-dimethyl-1H-indol-4-yl)cyclopropan-1-amine
SMILESCOc1ccc2[nH]c(C)c(C)c2c1C1(N)CC1
InChIInChI=1S/C14H18N2O/c1-8-9(2)16-10-4-5-11(17-3)13(12(8)10)14(15)6-7-14/h4-5,16H,6-7,15H2,1-3H3
InChIKeyQUZKHBYLWFDNIE-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.74
Rot. Bonds2

About 1-(5-methoxy-2,3-dimethyl-1H-indol-4-yl)cyclopropan-1-amine

1-(5-methoxy-2,3-dimethyl-1H-indol-4-yl)cyclopropan-1-amine (PubChem CID 84793739) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(5-methoxy-2,3-dimethyl-1H-indol-4-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(5-methoxy-2,3-dimethyl-1H-indol-4-yl)cyclopropan-1-amine
PubChem CID84793739
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-(5-methoxy-2,3-dimethyl-1H-indol-4-yl)cyclopropan-1-amine
SMILESCOc1ccc2[nH]c(C)c(C)c2c1C1(N)CC1
InChIInChI=1S/C14H18N2O/c1-8-9(2)16-10-4-5-11(17-3)13(12(8)10)14(15)6-7-14/h4-5,16H,6-7,15H2,1-3H3
InChIKeyQUZKHBYLWFDNIE-UHFFFAOYSA-N
XLogP2.74
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(5-methoxy-2,3-dimethyl-1H-indol-4-yl)cyclopropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-2,3-dimethyl-1H-indol-4-yl)cyclopropan-1-amine?
The IUPAC name of 1-(5-methoxy-2,3-dimethyl-1H-indol-4-yl)cyclopropan-1-amine (CID 84793739) is 1-(5-methoxy-2,3-dimethyl-1H-indol-4-yl)cyclopropan-1-amine.
What is the SMILES notation for 1-(5-methoxy-2,3-dimethyl-1H-indol-4-yl)cyclopropan-1-amine?
The canonical SMILES for 1-(5-methoxy-2,3-dimethyl-1H-indol-4-yl)cyclopropan-1-amine is COc1ccc2[nH]c(C)c(C)c2c1C1(N)CC1.
What is the InChIKey of 1-(5-methoxy-2,3-dimethyl-1H-indol-4-yl)cyclopropan-1-amine?
The InChIKey is QUZKHBYLWFDNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-8-9(2)16-10-4-5-11(17-3)13(12(8)10)14(15)6-7-14/h4-5,16H,6-7,15H2,1-3H3.
What are the key properties of 1-(5-methoxy-2,3-dimethyl-1H-indol-4-yl)cyclopropan-1-amine?
1-(5-methoxy-2,3-dimethyl-1H-indol-4-yl)cyclopropan-1-amine has a molecular weight of 230.31 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-2,3-dimethyl-1H-indol-4-yl)cyclopropan-1-amine is sourced from PubChem (CID 84793739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).