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

C14H17BrN2O — CID 84645201

IUPACN-[(3-bromo-7-methoxy-5-methyl-1H-indol-2-yl)methyl]cyclopropanamine
SMILESCOc1cc(C)cc2c(Br)c(CNC3CC3)[nH]c12
InChIInChI=1S/C14H17BrN2O/c1-8-5-10-13(15)11(7-16-9-3-4-9)17-14(10)12(6-8)18-2/h5-6,9,16-17H,3-4,7H2,1-2H3
InChIKeySXEPZHUQFJISSV-UHFFFAOYSA-N
MW309.21 g/mol
LogP3.50
Rot. Bonds4

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

N-[(3-bromo-7-methoxy-5-methyl-1H-indol-2-yl)methyl]cyclopropanamine (PubChem CID 84645201) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is N-[(3-bromo-7-methoxy-5-methyl-1H-indol-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3-bromo-7-methoxy-5-methyl-1H-indol-2-yl)methyl]cyclopropanamine
PubChem CID84645201
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC NameN-[(3-bromo-7-methoxy-5-methyl-1H-indol-2-yl)methyl]cyclopropanamine
SMILESCOc1cc(C)cc2c(Br)c(CNC3CC3)[nH]c12
InChIInChI=1S/C14H17BrN2O/c1-8-5-10-13(15)11(7-16-9-3-4-9)17-14(10)12(6-8)18-2/h5-6,9,16-17H,3-4,7H2,1-2H3
InChIKeySXEPZHUQFJISSV-UHFFFAOYSA-N
XLogP3.50
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromo-7-methoxy-1,5-dimethylindol-2-yl)methyl]cyclopropanamine
CID 84646070
N-[[7-methoxy-3-(methoxymethyl)-5-methyl-1-benzofuran-2-yl]methyl]cyclopropanamine
CID 114375003
N-[(2-methoxy-4,6-dimethylphenyl)methyl]cyclobutanamine
CID 82493926
N'-cyclopropyl-N-[(2-methoxy-4,6-dimethylphenyl)methyl]ethane-1,2-diamine
CID 115206979
N-[(3,6,7-trimethyl-1H-indol-2-yl)methyl]cyclopropanamine
CID 84625621
3-(cyclopropylamino)-1-(2-methoxy-4,6-dimethylphenyl)propan-1-ol
CID 112518695
N-[(5-bromo-2,7-dimethyl-1H-indol-3-yl)methyl]cyclopropanamine
CID 113420784
4-[(2-bromo-3-methoxy-5-methylphenyl)methyl]piperidine
CID 84815999
6-methoxy-4,8-dimethyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 84740794
N-[(5-bromo-2,3-dimethoxyphenyl)methyl]cyclopentanamine
CID 29227748
1-(2-bromo-3-methoxy-5-methylphenyl)-N-methoxymethanamine
CID 117404014
N-[(3,5-dibromo-2-methoxyphenyl)methyl]cyclopropanamine
CID 4719896

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-7-methoxy-5-methyl-1H-indol-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(3-bromo-7-methoxy-5-methyl-1H-indol-2-yl)methyl]cyclopropanamine (CID 84645201) is N-[(3-bromo-7-methoxy-5-methyl-1H-indol-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3-bromo-7-methoxy-5-methyl-1H-indol-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3-bromo-7-methoxy-5-methyl-1H-indol-2-yl)methyl]cyclopropanamine is COc1cc(C)cc2c(Br)c(CNC3CC3)[nH]c12.
What is the InChIKey of N-[(3-bromo-7-methoxy-5-methyl-1H-indol-2-yl)methyl]cyclopropanamine?
The InChIKey is SXEPZHUQFJISSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c1-8-5-10-13(15)11(7-16-9-3-4-9)17-14(10)12(6-8)18-2/h5-6,9,16-17H,3-4,7H2,1-2H3.
What are the key properties of N-[(3-bromo-7-methoxy-5-methyl-1H-indol-2-yl)methyl]cyclopropanamine?
N-[(3-bromo-7-methoxy-5-methyl-1H-indol-2-yl)methyl]cyclopropanamine has a molecular weight of 309.21 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-7-methoxy-5-methyl-1H-indol-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 84645201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).