[2-(aminomethyl)morpholin-4-yl]-(2-bromo-3-methylphenyl)methanone

C13H17BrN2O2 — CID 107983238

IUPAC[2-(aminomethyl)morpholin-4-yl]-(2-bromo-3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCOC(CN)C2)c1Br
InChIInChI=1S/C13H17BrN2O2/c1-9-3-2-4-11(12(9)14)13(17)16-5-6-18-10(7-15)8-16/h2-4,10H,5-8,15H2,1H3
InChIKeyMFGYLZXJIRYTOO-UHFFFAOYSA-N
MW313.19 g/mol
LogP1.56
Rot. Bonds2

About [2-(aminomethyl)morpholin-4-yl]-(2-bromo-3-methylphenyl)methanone

[2-(aminomethyl)morpholin-4-yl]-(2-bromo-3-methylphenyl)methanone (PubChem CID 107983238) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is [2-(aminomethyl)morpholin-4-yl]-(2-bromo-3-methylphenyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)morpholin-4-yl]-(2-bromo-3-methylphenyl)methanone
PubChem CID107983238
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name[2-(aminomethyl)morpholin-4-yl]-(2-bromo-3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCOC(CN)C2)c1Br
InChIInChI=1S/C13H17BrN2O2/c1-9-3-2-4-11(12(9)14)13(17)16-5-6-18-10(7-15)8-16/h2-4,10H,5-8,15H2,1H3
InChIKeyMFGYLZXJIRYTOO-UHFFFAOYSA-N
XLogP1.56
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-3-methylphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 103855429
(2-bromo-3-methylphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 172647311
[2-(aminomethyl)morpholin-4-yl]-naphthalen-1-ylmethanone
CID 61339139
[(2S)-2-(aminomethyl)morpholin-4-yl]-(2-fluorophenyl)methanone
CID 42252423
[2-(aminomethyl)morpholin-4-yl]-(5-chloro-2-methylphenyl)methanone
CID 114398222
aziridin-1-yl-(2-bromo-3-methylphenyl)methanone
CID 131089589
(2-bromo-3-methylphenyl)-(1,3-oxazolidin-3-yl)methanone
CID 130965206
2-[4-(3-bromo-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 66434767
[2-(aminomethyl)morpholin-4-yl]-[2-(difluoromethoxy)phenyl]methanone
CID 61337007
[2-(aminomethyl)morpholin-4-yl]-(2,4,6-trimethylphenyl)methanone
CID 61336812
(4-amino-3-methylpiperidin-1-yl)-(2-bromo-3-methylphenyl)methanone
CID 114023943
2-(aminomethyl)-N-(3-methylphenyl)morpholine-4-carboxamide
CID 61337014

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)morpholin-4-yl]-(2-bromo-3-methylphenyl)methanone?
The IUPAC name of [2-(aminomethyl)morpholin-4-yl]-(2-bromo-3-methylphenyl)methanone (CID 107983238) is [2-(aminomethyl)morpholin-4-yl]-(2-bromo-3-methylphenyl)methanone.
What is the SMILES notation for [2-(aminomethyl)morpholin-4-yl]-(2-bromo-3-methylphenyl)methanone?
The canonical SMILES for [2-(aminomethyl)morpholin-4-yl]-(2-bromo-3-methylphenyl)methanone is Cc1cccc(C(=O)N2CCOC(CN)C2)c1Br.
What is the InChIKey of [2-(aminomethyl)morpholin-4-yl]-(2-bromo-3-methylphenyl)methanone?
The InChIKey is MFGYLZXJIRYTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c1-9-3-2-4-11(12(9)14)13(17)16-5-6-18-10(7-15)8-16/h2-4,10H,5-8,15H2,1H3.
What are the key properties of [2-(aminomethyl)morpholin-4-yl]-(2-bromo-3-methylphenyl)methanone?
[2-(aminomethyl)morpholin-4-yl]-(2-bromo-3-methylphenyl)methanone has a molecular weight of 313.19 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)morpholin-4-yl]-(2-bromo-3-methylphenyl)methanone is sourced from PubChem (CID 107983238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).