2-[(3-bromo-1H-indol-5-yl)methyl]morpholine

C13H15BrN2O — CID 162392059

IUPAC2-[(3-bromo-1H-indol-5-yl)methyl]morpholine
SMILESBrc1c[nH]c2ccc(CC3CNCCO3)cc12
InChIInChI=1S/C13H15BrN2O/c14-12-8-16-13-2-1-9(6-11(12)13)5-10-7-15-3-4-17-10/h1-2,6,8,10,15-16H,3-5,7H2
InChIKeyRFJVWWOWLAXRTB-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.46
Rot. Bonds2

About 2-[(3-bromo-1H-indol-5-yl)methyl]morpholine

2-[(3-bromo-1H-indol-5-yl)methyl]morpholine (PubChem CID 162392059) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 2-[(3-bromo-1H-indol-5-yl)methyl]morpholine.

Molecular Properties

Compound Name2-[(3-bromo-1H-indol-5-yl)methyl]morpholine
PubChem CID162392059
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name2-[(3-bromo-1H-indol-5-yl)methyl]morpholine
SMILESBrc1c[nH]c2ccc(CC3CNCCO3)cc12
InChIInChI=1S/C13H15BrN2O/c14-12-8-16-13-2-1-9(6-11(12)13)5-10-7-15-3-4-17-10/h1-2,6,8,10,15-16H,3-5,7H2
InChIKeyRFJVWWOWLAXRTB-UHFFFAOYSA-N
XLogP2.46
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(3-bromo-1H-indol-5-yl)methyl]morpholine 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

2-[(4-bromophenyl)methyl]morpholine
CID 66730468
3-bromo-5-(piperidin-4-ylmethyl)-1H-indole
CID 84815091
(2R)-2-[(3-bromo-4-cyclopentyloxyphenyl)methyl]morpholine
CID 11573663
[4-(morpholin-2-ylmethyl)phenyl]methanamine
CID 174949580
2-[(6-methylnaphthalen-2-yl)methyl]morpholine
CID 116927898
2-(5H-pyrido[4,3-b]indol-7-ylmethyl)morpholine
CID 116986104
2-[(3,4-diethoxyphenyl)methyl]morpholine
CID 116989260
6-(morpholin-2-ylmethyl)-3,4-dihydro-1H-quinolin-2-one
CID 116927838
2-[(4-piperidin-3-ylphenyl)methyl]morpholine
CID 116988313
(2R)-2-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]morpholine
CID 11565325
7-(morpholin-2-ylmethyl)-4H-1,4-benzoxazin-3-one
CID 116994745
(2R)-2-[(3-chloro-4-propoxyphenyl)methyl]morpholine
CID 11507301

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-1H-indol-5-yl)methyl]morpholine?
The IUPAC name of 2-[(3-bromo-1H-indol-5-yl)methyl]morpholine (CID 162392059) is 2-[(3-bromo-1H-indol-5-yl)methyl]morpholine.
What is the SMILES notation for 2-[(3-bromo-1H-indol-5-yl)methyl]morpholine?
The canonical SMILES for 2-[(3-bromo-1H-indol-5-yl)methyl]morpholine is Brc1c[nH]c2ccc(CC3CNCCO3)cc12.
What is the InChIKey of 2-[(3-bromo-1H-indol-5-yl)methyl]morpholine?
The InChIKey is RFJVWWOWLAXRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c14-12-8-16-13-2-1-9(6-11(12)13)5-10-7-15-3-4-17-10/h1-2,6,8,10,15-16H,3-5,7H2.
What are the key properties of 2-[(3-bromo-1H-indol-5-yl)methyl]morpholine?
2-[(3-bromo-1H-indol-5-yl)methyl]morpholine has a molecular weight of 295.18 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-1H-indol-5-yl)methyl]morpholine is sourced from PubChem (CID 162392059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).