3-(4-bromo-7-methoxy-1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine

C19H21BrN2O — CID 58088539

IUPAC3-(4-bromo-7-methoxy-1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine
SMILESCNCCC(c1ccccc1)c1c[nH]c2c(OC)ccc(Br)c12
InChIInChI=1S/C19H21BrN2O/c1-21-11-10-14(13-6-4-3-5-7-13)15-12-22-19-17(23-2)9-8-16(20)18(15)19/h3-9,12,14,21-22H,10-11H2,1-2H3
InChIKeyRMTVQNDYTWHFRA-UHFFFAOYSA-N
MW373.29 g/mol
LogP4.68
Rot. Bonds6

About 3-(4-bromo-7-methoxy-1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine

3-(4-bromo-7-methoxy-1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine (PubChem CID 58088539) has the molecular formula C19H21BrN2O and a molecular weight of 373.29 g/mol. Its IUPAC name is 3-(4-bromo-7-methoxy-1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(4-bromo-7-methoxy-1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine
PubChem CID58088539
Molecular FormulaC19H21BrN2O
Molecular Weight373.29 g/mol
Exact Mass372.08
IUPAC Name3-(4-bromo-7-methoxy-1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine
SMILESCNCCC(c1ccccc1)c1c[nH]c2c(OC)ccc(Br)c12
InChIInChI=1S/C19H21BrN2O/c1-21-11-10-14(13-6-4-3-5-7-13)15-12-22-19-17(23-2)9-8-16(20)18(15)19/h3-9,12,14,21-22H,10-11H2,1-2H3
InChIKeyRMTVQNDYTWHFRA-UHFFFAOYSA-N
XLogP4.68
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.29
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methoxy-1H-indol-3-yl)-N-methyl-4-phenylbutan-1-amine
CID 58088594
4-methoxy-3-[3-(methylamino)-1-pyridin-3-ylpropyl]-1H-indole-7-carbonitrile
CID 58088593
(3R)-3-(4-chloro-1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine
CID 58088531
N-methyl-3-(7-methyl-1H-indol-3-yl)-3-phenylpropan-1-amine
CID 58088625
3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 58088410
3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methyl-3-phenylpropan-1-amine
CID 46178745
3-(7-methoxy-1H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine
CID 59831836
3-(4-chloro-1H-indol-3-yl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine
CID 58088517
(4-bromo-7-methoxy-1H-indol-3-yl)methanamine
CID 83901052
3-[4-(cyclopropylmethoxy)-1H-indol-3-yl]-N-methyl-3-phenylpropan-1-amine
CID 58088528
1-[(3S)-3-(4-methoxy-1H-indol-3-yl)-3-phenylpropyl]-2-[3-(4-methoxy-1H-indol-3-yl)-3-phenylpropyl]-1,2-dimethylhydrazine
CID 67268953
N-methyl-3,3-diphenylpropan-1-amine;hydrochloride
CID 21467371

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-7-methoxy-1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine?
The IUPAC name of 3-(4-bromo-7-methoxy-1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine (CID 58088539) is 3-(4-bromo-7-methoxy-1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine.
What is the SMILES notation for 3-(4-bromo-7-methoxy-1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine?
The canonical SMILES for 3-(4-bromo-7-methoxy-1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine is CNCCC(c1ccccc1)c1c[nH]c2c(OC)ccc(Br)c12.
What is the InChIKey of 3-(4-bromo-7-methoxy-1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine?
The InChIKey is RMTVQNDYTWHFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O/c1-21-11-10-14(13-6-4-3-5-7-13)15-12-22-19-17(23-2)9-8-16(20)18(15)19/h3-9,12,14,21-22H,10-11H2,1-2H3.
What are the key properties of 3-(4-bromo-7-methoxy-1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine?
3-(4-bromo-7-methoxy-1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine has a molecular weight of 373.29 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-7-methoxy-1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine is sourced from PubChem (CID 58088539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).