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

C13H18N2O3 — CID 107673392

IUPAC[3-(aminomethyl)morpholin-4-yl]-(4-hydroxy-2-methylphenyl)methanone
SMILESCc1cc(O)ccc1C(=O)N1CCOCC1CN
InChIInChI=1S/C13H18N2O3/c1-9-6-11(16)2-3-12(9)13(17)15-4-5-18-8-10(15)7-14/h2-3,6,10,16H,4-5,7-8,14H2,1H3
InChIKeyFAVFPJHWJPUMPU-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.50
Rot. Bonds2

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

[3-(aminomethyl)morpholin-4-yl]-(4-hydroxy-2-methylphenyl)methanone (PubChem CID 107673392) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is [3-(aminomethyl)morpholin-4-yl]-(4-hydroxy-2-methylphenyl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)morpholin-4-yl]-(4-hydroxy-2-methylphenyl)methanone
PubChem CID107673392
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name[3-(aminomethyl)morpholin-4-yl]-(4-hydroxy-2-methylphenyl)methanone
SMILESCc1cc(O)ccc1C(=O)N1CCOCC1CN
InChIInChI=1S/C13H18N2O3/c1-9-6-11(16)2-3-12(9)13(17)15-4-5-18-8-10(15)7-14/h2-3,6,10,16H,4-5,7-8,14H2,1H3
InChIKeyFAVFPJHWJPUMPU-UHFFFAOYSA-N
XLogP0.50
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-hydroxy-2-methylphenyl)-[(3S)-3-(2-methylpropyl)morpholin-4-yl]methanone
CID 99627905
[3-(aminomethyl)morpholin-4-yl]-(4-methoxy-3-methylphenyl)methanone
CID 115270840
2-[4-(2,5-dihydroxybenzoyl)morpholin-3-yl]acetic acid
CID 107721744
[2-(aminomethyl)azepan-1-yl]-(2,4-dimethylphenyl)methanone
CID 116639963
4-(4-amino-2-methylbenzoyl)morpholine-3-carboxamide
CID 83094286
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dimethylphenyl)methanone
CID 103441015
(2-chloro-4-methylphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 106861970
[3-(chloromethyl)morpholin-4-yl]-(4-hydroxy-3-methylphenyl)methanone
CID 107673227
4-(4-amino-2-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83107032
2-[4-(2-fluoro-4-methylbenzoyl)morpholin-3-yl]acetic acid
CID 56892320
(3,3-dimethylmorpholin-4-yl)-(4-hydroxy-2-methylphenyl)methanone
CID 103865329
benzyl (3R)-3-(aminomethyl)morpholine-4-carboxylate
CID 91666877

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)morpholin-4-yl]-(4-hydroxy-2-methylphenyl)methanone?
The IUPAC name of [3-(aminomethyl)morpholin-4-yl]-(4-hydroxy-2-methylphenyl)methanone (CID 107673392) is [3-(aminomethyl)morpholin-4-yl]-(4-hydroxy-2-methylphenyl)methanone.
What is the SMILES notation for [3-(aminomethyl)morpholin-4-yl]-(4-hydroxy-2-methylphenyl)methanone?
The canonical SMILES for [3-(aminomethyl)morpholin-4-yl]-(4-hydroxy-2-methylphenyl)methanone is Cc1cc(O)ccc1C(=O)N1CCOCC1CN.
What is the InChIKey of [3-(aminomethyl)morpholin-4-yl]-(4-hydroxy-2-methylphenyl)methanone?
The InChIKey is FAVFPJHWJPUMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9-6-11(16)2-3-12(9)13(17)15-4-5-18-8-10(15)7-14/h2-3,6,10,16H,4-5,7-8,14H2,1H3.
What are the key properties of [3-(aminomethyl)morpholin-4-yl]-(4-hydroxy-2-methylphenyl)methanone?
[3-(aminomethyl)morpholin-4-yl]-(4-hydroxy-2-methylphenyl)methanone has a molecular weight of 250.30 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)morpholin-4-yl]-(4-hydroxy-2-methylphenyl)methanone is sourced from PubChem (CID 107673392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).