N-[(3-bromo-7-methoxy-1,5-dimethylindol-2-yl)methyl]cyclopropanamine

C15H19BrN2O — CID 84646070

IUPACN-[(3-bromo-7-methoxy-1,5-dimethylindol-2-yl)methyl]cyclopropanamine
SMILESCOc1cc(C)cc2c(Br)c(CNC3CC3)n(C)c12
InChIInChI=1S/C15H19BrN2O/c1-9-6-11-14(16)12(8-17-10-4-5-10)18(2)15(11)13(7-9)19-3/h6-7,10,17H,4-5,8H2,1-3H3
InChIKeyMJVGQEBBLMQOAR-UHFFFAOYSA-N
MW323.23 g/mol
LogP3.51
Rot. Bonds4

About N-[(3-bromo-7-methoxy-1,5-dimethylindol-2-yl)methyl]cyclopropanamine

N-[(3-bromo-7-methoxy-1,5-dimethylindol-2-yl)methyl]cyclopropanamine (PubChem CID 84646070) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is N-[(3-bromo-7-methoxy-1,5-dimethylindol-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3-bromo-7-methoxy-1,5-dimethylindol-2-yl)methyl]cyclopropanamine
PubChem CID84646070
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC NameN-[(3-bromo-7-methoxy-1,5-dimethylindol-2-yl)methyl]cyclopropanamine
SMILESCOc1cc(C)cc2c(Br)c(CNC3CC3)n(C)c12
InChIInChI=1S/C15H19BrN2O/c1-9-6-11-14(16)12(8-17-10-4-5-10)18(2)15(11)13(7-9)19-3/h6-7,10,17H,4-5,8H2,1-3H3
InChIKeyMJVGQEBBLMQOAR-UHFFFAOYSA-N
XLogP3.51
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-bromo-7-methoxy-1,5-dimethylindol-2-yl)methyl]cyclopropanamine with MolForge

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

Launch Full Analysis

Related Compounds

N-[(3-bromo-1,5-dimethylindol-2-yl)methyl]cyclopropanamine
CID 84643930
N-[(3-bromo-7-methoxy-5-methyl-1H-indol-2-yl)methyl]cyclopropanamine
CID 84645201
N-[[7-methoxy-3-(methoxymethyl)-5-methyl-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 114375003
(8-methoxy-6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-4-yl)methanamine
CID 84742499
N-[(2-methoxy-4,6-dimethylphenyl)methyl]cyclobutanamine
CID 82493926
7-methoxy-1,2,5-trimethyl-3-pyrrolidin-3-ylindole
CID 84637342
3-(7-methoxy-1,3,5-trimethylindol-2-yl)propanoic acid
CID 82500848
N-[2-(7-methoxy-1,2-dimethylindol-3-yl)ethyl]cyclopropanamine
CID 96677257
6-methoxy-3,5,8-trimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indole
CID 84741614
N'-cyclopropyl-N-[(2-methoxy-4,6-dimethylphenyl)methyl]ethane-1,2-diamine
CID 115206979
methyl 6-bromo-2-[(cyclohexylamino)methyl]-5-methoxy-1-methylindole-3-carboxylate;hydrochloride
CID 126478465
N-[(4-bromo-3-methoxyphenyl)methyl]cyclobutanamine
CID 117219999

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-7-methoxy-1,5-dimethylindol-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(3-bromo-7-methoxy-1,5-dimethylindol-2-yl)methyl]cyclopropanamine (CID 84646070) is N-[(3-bromo-7-methoxy-1,5-dimethylindol-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3-bromo-7-methoxy-1,5-dimethylindol-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3-bromo-7-methoxy-1,5-dimethylindol-2-yl)methyl]cyclopropanamine is COc1cc(C)cc2c(Br)c(CNC3CC3)n(C)c12.
What is the InChIKey of N-[(3-bromo-7-methoxy-1,5-dimethylindol-2-yl)methyl]cyclopropanamine?
The InChIKey is MJVGQEBBLMQOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c1-9-6-11-14(16)12(8-17-10-4-5-10)18(2)15(11)13(7-9)19-3/h6-7,10,17H,4-5,8H2,1-3H3.
What are the key properties of N-[(3-bromo-7-methoxy-1,5-dimethylindol-2-yl)methyl]cyclopropanamine?
N-[(3-bromo-7-methoxy-1,5-dimethylindol-2-yl)methyl]cyclopropanamine has a molecular weight of 323.23 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-7-methoxy-1,5-dimethylindol-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 84646070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).