2-(7-bromo-4-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylethanamine

C19H21BrN2O — CID 11014184

IUPAC2-(7-bromo-4-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylethanamine
SMILESCN(C)CCc1c[nH]c2c(Br)ccc(OCc3ccccc3)c12
InChIInChI=1S/C19H21BrN2O/c1-22(2)11-10-15-12-21-19-16(20)8-9-17(18(15)19)23-13-14-6-4-3-5-7-14/h3-9,12,21H,10-11,13H2,1-2H3
InChIKeyFDVPSUOMFSWICZ-UHFFFAOYSA-N
MW373.29 g/mol
LogP4.61
Rot. Bonds6

About 2-(7-bromo-4-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylethanamine

2-(7-bromo-4-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylethanamine (PubChem CID 11014184) has the molecular formula C19H21BrN2O and a molecular weight of 373.29 g/mol. Its IUPAC name is 2-(7-bromo-4-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(7-bromo-4-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylethanamine
PubChem CID11014184
Molecular FormulaC19H21BrN2O
Molecular Weight373.29 g/mol
Exact Mass372.08
IUPAC Name2-(7-bromo-4-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylethanamine
SMILESCN(C)CCc1c[nH]c2c(Br)ccc(OCc3ccccc3)c12
InChIInChI=1S/C19H21BrN2O/c1-22(2)11-10-15-12-21-19-16(20)8-9-17(18(15)19)23-13-14-6-4-3-5-7-14/h3-9,12,21H,10-11,13H2,1-2H3
InChIKeyFDVPSUOMFSWICZ-UHFFFAOYSA-N
XLogP4.61
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.29
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(7-bromo-4-phenylmethoxy-1H-indol-3-yl)methyl]formamide
CID 10926449
2-(7-bromo-4-phenylmethoxy-1H-indol-3-yl)acetonitrile
CID 10947826
N-methyl-N-[2-(4-phenylmethoxy-1H-indol-3-yl)ethyl]propan-2-amine
CID 156852024
N-[2-(4-phenylmethoxy-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine;hydrochloride
CID 24801934
1-[3-[2-(dibutylamino)ethyl]-4-phenylmethoxy-1H-indol-7-yl]-2,2,2-trifluoroethanone
CID 163387084
2-(1-benzyl-4-phenylmethoxyindol-3-yl)-N,N-dimethylethanamine
CID 154159939
2-(4-methoxy-3-phenylmethoxyphenyl)-N,N-dimethylethanamine
CID 18986890
N,N-dimethyl-2-(1-methyl-4-phenylmethoxy-7-prop-2-enylindol-3-yl)ethanamine
CID 166138190
2-(1-cyclopropyl-4-phenylmethoxyindol-3-yl)-N,N-dimethylethanamine
CID 156852005
[3-[2-(dimethylamino)ethyl]-7-methyl-1H-indol-4-yl] dihydrogen phosphate
CID 162744827
2-(7-bromo-4-hydroxy-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide;1-(7-bromo-4-methoxy-1-methylindol-3-yl)-2-(dimethylamino)ethanol;2-(7-bromo-4-methoxy-1-methylindol-3-yl)-N,N-dimethylethanamine;2-(7-bromo-4-methoxy-1-methylindol-3-yl)-N,N-dimethyl-2-oxoacetamide;N,N-dimethyl-2-oxo-2-(4-phenylmethoxy-1H-indol-3-yl)acetamide;2-(4-methoxy-1,7-dimethylindol-3-yl)-N,N-dimethylethanamine
CID 162103438
1-(5-methoxy-4-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylmethanamine
CID 121230870

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-4-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(7-bromo-4-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylethanamine (CID 11014184) is 2-(7-bromo-4-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(7-bromo-4-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(7-bromo-4-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylethanamine is CN(C)CCc1c[nH]c2c(Br)ccc(OCc3ccccc3)c12.
What is the InChIKey of 2-(7-bromo-4-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylethanamine?
The InChIKey is FDVPSUOMFSWICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O/c1-22(2)11-10-15-12-21-19-16(20)8-9-17(18(15)19)23-13-14-6-4-3-5-7-14/h3-9,12,21H,10-11,13H2,1-2H3.
What are the key properties of 2-(7-bromo-4-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylethanamine?
2-(7-bromo-4-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylethanamine has a molecular weight of 373.29 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-4-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 11014184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).