N-[[4-bromo-1-(3-methoxypropyl)indol-3-yl]methyl]cyclopropanamine

C16H21BrN2O — CID 59494491

IUPACN-[[4-bromo-1-(3-methoxypropyl)indol-3-yl]methyl]cyclopropanamine
SMILESCOCCCn1cc(CNC2CC2)c2c(Br)cccc21
InChIInChI=1S/C16H21BrN2O/c1-20-9-3-8-19-11-12(10-18-13-6-7-13)16-14(17)4-2-5-15(16)19/h2,4-5,11,13,18H,3,6-10H2,1H3
InChIKeyGQLWYAZPLLZJNB-UHFFFAOYSA-N
MW337.26 g/mol
LogP3.69
Rot. Bonds7

About N-[[4-bromo-1-(3-methoxypropyl)indol-3-yl]methyl]cyclopropanamine

N-[[4-bromo-1-(3-methoxypropyl)indol-3-yl]methyl]cyclopropanamine (PubChem CID 59494491) has the molecular formula C16H21BrN2O and a molecular weight of 337.26 g/mol. Its IUPAC name is N-[[4-bromo-1-(3-methoxypropyl)indol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-bromo-1-(3-methoxypropyl)indol-3-yl]methyl]cyclopropanamine
PubChem CID59494491
Molecular FormulaC16H21BrN2O
Molecular Weight337.26 g/mol
Exact Mass336.08
IUPAC NameN-[[4-bromo-1-(3-methoxypropyl)indol-3-yl]methyl]cyclopropanamine
SMILESCOCCCn1cc(CNC2CC2)c2c(Br)cccc21
InChIInChI=1S/C16H21BrN2O/c1-20-9-3-8-19-11-12(10-18-13-6-7-13)16-14(17)4-2-5-15(16)19/h2,4-5,11,13,18H,3,6-10H2,1H3
InChIKeyGQLWYAZPLLZJNB-UHFFFAOYSA-N
XLogP3.69
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5,6-difluoro-1-(3-methoxypropyl)indol-3-yl]methyl]cyclopropanamine
CID 59494429
N-[[4-chloro-1-(3-methoxypropyl)-6-methylpyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine
CID 59494685
4-[(4R)-3-[[4-bromo-1-(3-methoxypropyl)indol-3-yl]methyl-cyclopropylamino]piperidin-4-yl]-1-methylpyridin-2-one
CID 118282163
3-[(cyclopentylamino)methyl]-1-ethylindol-4-ol
CID 117171709
3-[(cyclobutylamino)methyl]-1-ethylindol-4-ol
CID 117171699
3-ethyl-1-(3-methoxypropyl)-4-pyrrolidin-1-ylindole
CID 59494181
N-[[3-(2-bromophenyl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine
CID 79485221
N-[[3-(3-methoxypropyl)imidazol-4-yl]methyl]cyclopropanamine
CID 66146516
3-[(cyclopropylamino)methyl]-1-(3-methoxypropyl)-6-methylpyridin-2-one
CID 82524754
N-[[5-bromo-2-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
CID 104646884
N-[(4-chloro-1-propan-2-ylindol-3-yl)methyl]cyclopropanamine
CID 117171695
N-[[2-bromo-5-[2-(3-methoxypropoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 103177897

Frequently Asked Questions

What is the IUPAC name of N-[[4-bromo-1-(3-methoxypropyl)indol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-bromo-1-(3-methoxypropyl)indol-3-yl]methyl]cyclopropanamine (CID 59494491) is N-[[4-bromo-1-(3-methoxypropyl)indol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-bromo-1-(3-methoxypropyl)indol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-bromo-1-(3-methoxypropyl)indol-3-yl]methyl]cyclopropanamine is COCCCn1cc(CNC2CC2)c2c(Br)cccc21.
What is the InChIKey of N-[[4-bromo-1-(3-methoxypropyl)indol-3-yl]methyl]cyclopropanamine?
The InChIKey is GQLWYAZPLLZJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O/c1-20-9-3-8-19-11-12(10-18-13-6-7-13)16-14(17)4-2-5-15(16)19/h2,4-5,11,13,18H,3,6-10H2,1H3.
What are the key properties of N-[[4-bromo-1-(3-methoxypropyl)indol-3-yl]methyl]cyclopropanamine?
N-[[4-bromo-1-(3-methoxypropyl)indol-3-yl]methyl]cyclopropanamine has a molecular weight of 337.26 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-bromo-1-(3-methoxypropyl)indol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 59494491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).