[4-[(5-bromo-1H-indol-3-yl)methyl]morpholin-2-yl]methanamine

C14H18BrN3O — CID 114397775

IUPAC[4-[(5-bromo-1H-indol-3-yl)methyl]morpholin-2-yl]methanamine
SMILESNCC1CN(Cc2c[nH]c3ccc(Br)cc23)CCO1
InChIInChI=1S/C14H18BrN3O/c15-11-1-2-14-13(5-11)10(7-17-14)8-18-3-4-19-12(6-16)9-18/h1-2,5,7,12,17H,3-4,6,8-9,16H2
InChIKeyKBCBWGGOPTXYCE-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.09
Rot. Bonds3

About [4-[(5-bromo-1H-indol-3-yl)methyl]morpholin-2-yl]methanamine

[4-[(5-bromo-1H-indol-3-yl)methyl]morpholin-2-yl]methanamine (PubChem CID 114397775) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is [4-[(5-bromo-1H-indol-3-yl)methyl]morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-[(5-bromo-1H-indol-3-yl)methyl]morpholin-2-yl]methanamine
PubChem CID114397775
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name[4-[(5-bromo-1H-indol-3-yl)methyl]morpholin-2-yl]methanamine
SMILESNCC1CN(Cc2c[nH]c3ccc(Br)cc23)CCO1
InChIInChI=1S/C14H18BrN3O/c15-11-1-2-14-13(5-11)10(7-17-14)8-18-3-4-19-12(6-16)9-18/h1-2,5,7,12,17H,3-4,6,8-9,16H2
InChIKeyKBCBWGGOPTXYCE-UHFFFAOYSA-N
XLogP2.09
TPSA54.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-[(5-bromo-1H-indol-3-yl)methyl]morpholin-2-yl]methanamine with MolForge

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Related Compounds

[4-[(4-bromo-2-morpholin-4-ylphenyl)methyl]morpholin-2-yl]methanamine
CID 120844485
4-[(4-bromo-2-chlorophenyl)methyl]-2-ethylmorpholine
CID 115598233
2-[(4-fluorophenyl)methyl]-4-(1H-indol-3-ylmethyl)morpholine
CID 45209393
[4-[(2,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 114393379
4-[(4-bromo-2-fluorophenyl)methyl]-2-(bromomethyl)morpholine
CID 81212861
[4-[(2,3,4-trimethoxyphenyl)methyl]morpholin-2-yl]methanamine
CID 114393343
4-[(5-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)morpholine
CID 81210968
1-[1-[(5-bromo-1H-indol-3-yl)methyl]piperidin-4-yl]-N-methylmethanamine
CID 63250772
[4-[(4-chloro-2-fluorophenyl)methyl]morpholin-2-yl]methanamine;hydrochloride
CID 120844387
[4-[(4-methyl-3-pyridinyl)methyl]morpholin-2-yl]methanamine;hydrochloride
CID 120844442
[4-[[2-(methoxymethyl)phenyl]methyl]morpholin-2-yl]methanamine
CID 114397886
1-[(5-bromo-1H-indol-3-yl)methyl]-N,4-dimethylpiperidin-4-amine
CID 115304190

Frequently Asked Questions

What is the IUPAC name of [4-[(5-bromo-1H-indol-3-yl)methyl]morpholin-2-yl]methanamine?
The IUPAC name of [4-[(5-bromo-1H-indol-3-yl)methyl]morpholin-2-yl]methanamine (CID 114397775) is [4-[(5-bromo-1H-indol-3-yl)methyl]morpholin-2-yl]methanamine.
What is the SMILES notation for [4-[(5-bromo-1H-indol-3-yl)methyl]morpholin-2-yl]methanamine?
The canonical SMILES for [4-[(5-bromo-1H-indol-3-yl)methyl]morpholin-2-yl]methanamine is NCC1CN(Cc2c[nH]c3ccc(Br)cc23)CCO1.
What is the InChIKey of [4-[(5-bromo-1H-indol-3-yl)methyl]morpholin-2-yl]methanamine?
The InChIKey is KBCBWGGOPTXYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c15-11-1-2-14-13(5-11)10(7-17-14)8-18-3-4-19-12(6-16)9-18/h1-2,5,7,12,17H,3-4,6,8-9,16H2.
What are the key properties of [4-[(5-bromo-1H-indol-3-yl)methyl]morpholin-2-yl]methanamine?
[4-[(5-bromo-1H-indol-3-yl)methyl]morpholin-2-yl]methanamine has a molecular weight of 324.22 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-bromo-1H-indol-3-yl)methyl]morpholin-2-yl]methanamine is sourced from PubChem (CID 114397775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).