[4-[(3-bromo-4-methoxyphenyl)methyl]morpholin-2-yl]methanamine

C13H19BrN2O2 — CID 114393440

IUPAC[4-[(3-bromo-4-methoxyphenyl)methyl]morpholin-2-yl]methanamine
SMILESCOc1ccc(CN2CCOC(CN)C2)cc1Br
InChIInChI=1S/C13H19BrN2O2/c1-17-13-3-2-10(6-12(13)14)8-16-4-5-18-11(7-15)9-16/h2-3,6,11H,4-5,7-9,15H2,1H3
InChIKeyHDXBZLRNQGZNMG-UHFFFAOYSA-N
MW315.21 g/mol
LogP1.62
Rot. Bonds4

About [4-[(3-bromo-4-methoxyphenyl)methyl]morpholin-2-yl]methanamine

[4-[(3-bromo-4-methoxyphenyl)methyl]morpholin-2-yl]methanamine (PubChem CID 114393440) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is [4-[(3-bromo-4-methoxyphenyl)methyl]morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-[(3-bromo-4-methoxyphenyl)methyl]morpholin-2-yl]methanamine
PubChem CID114393440
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name[4-[(3-bromo-4-methoxyphenyl)methyl]morpholin-2-yl]methanamine
SMILESCOc1ccc(CN2CCOC(CN)C2)cc1Br
InChIInChI=1S/C13H19BrN2O2/c1-17-13-3-2-10(6-12(13)14)8-16-4-5-18-11(7-15)9-16/h2-3,6,11H,4-5,7-9,15H2,1H3
InChIKeyHDXBZLRNQGZNMG-UHFFFAOYSA-N
XLogP1.62
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-bromo-4-methoxyphenyl)methyl]morpholine-2-carbonitrile
CID 78946188
4-[(3-bromo-4-methoxyphenyl)methyl]-2-methylmorpholine
CID 60705276
5-[[2-(aminomethyl)morpholin-4-yl]methyl]-2-methoxybenzonitrile
CID 114397814
4-[(3-bromo-4-methoxyphenyl)methyl]-N'-hydroxymorpholine-2-carboximidamide
CID 79680600
[4-[(4-ethoxy-3-fluorophenyl)methyl]morpholin-2-yl]methanamine
CID 120844436
(3R)-1-[(3-bromo-4-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 115301915
[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 10308229
[(2R)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 11346392
[4-[(2,3,4-trimethoxyphenyl)methyl]morpholin-2-yl]methanamine
CID 114393343
[4-[(2,4,6-trimethoxyphenyl)methyl]morpholin-2-yl]methanamine
CID 114393408
1-[(3-bromo-4-methoxyphenyl)methyl]-3,4-dimethylpyrrolidine
CID 79037784
(3R)-1-[(3-bromo-4-methoxyphenyl)methyl]-3-methylpiperidine
CID 783360

Frequently Asked Questions

What is the IUPAC name of [4-[(3-bromo-4-methoxyphenyl)methyl]morpholin-2-yl]methanamine?
The IUPAC name of [4-[(3-bromo-4-methoxyphenyl)methyl]morpholin-2-yl]methanamine (CID 114393440) is [4-[(3-bromo-4-methoxyphenyl)methyl]morpholin-2-yl]methanamine.
What is the SMILES notation for [4-[(3-bromo-4-methoxyphenyl)methyl]morpholin-2-yl]methanamine?
The canonical SMILES for [4-[(3-bromo-4-methoxyphenyl)methyl]morpholin-2-yl]methanamine is COc1ccc(CN2CCOC(CN)C2)cc1Br.
What is the InChIKey of [4-[(3-bromo-4-methoxyphenyl)methyl]morpholin-2-yl]methanamine?
The InChIKey is HDXBZLRNQGZNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-17-13-3-2-10(6-12(13)14)8-16-4-5-18-11(7-15)9-16/h2-3,6,11H,4-5,7-9,15H2,1H3.
What are the key properties of [4-[(3-bromo-4-methoxyphenyl)methyl]morpholin-2-yl]methanamine?
[4-[(3-bromo-4-methoxyphenyl)methyl]morpholin-2-yl]methanamine has a molecular weight of 315.21 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-bromo-4-methoxyphenyl)methyl]morpholin-2-yl]methanamine is sourced from PubChem (CID 114393440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).