[(2S)-2-(aminomethyl)morpholin-4-yl]-(4-methoxyphenyl)methanone

C13H18N2O3 — CID 42252495

IUPAC[(2S)-2-(aminomethyl)morpholin-4-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCO[C@@H](CN)C2)cc1
InChIInChI=1S/C13H18N2O3/c1-17-11-4-2-10(3-5-11)13(16)15-6-7-18-12(8-14)9-15/h2-5,12H,6-9,14H2,1H3/t12-/m0/s1
InChIKeyUJVBUAKZXKNQCO-LBPRGKRZSA-N
MW250.30 g/mol
LogP0.49
Rot. Bonds3

About [(2S)-2-(aminomethyl)morpholin-4-yl]-(4-methoxyphenyl)methanone

[(2S)-2-(aminomethyl)morpholin-4-yl]-(4-methoxyphenyl)methanone (PubChem CID 42252495) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is [(2S)-2-(aminomethyl)morpholin-4-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[(2S)-2-(aminomethyl)morpholin-4-yl]-(4-methoxyphenyl)methanone
PubChem CID42252495
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name[(2S)-2-(aminomethyl)morpholin-4-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCO[C@@H](CN)C2)cc1
InChIInChI=1S/C13H18N2O3/c1-17-11-4-2-10(3-5-11)13(16)15-6-7-18-12(8-14)9-15/h2-5,12H,6-9,14H2,1H3/t12-/m0/s1
InChIKeyUJVBUAKZXKNQCO-LBPRGKRZSA-N
XLogP0.49
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-(aminomethyl)morpholin-4-yl]-(4-fluorophenyl)methanone
CID 42252437
[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]-(4-methylphenyl)methanone
CID 46041087
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(4-methoxyphenyl)methanone
CID 102938451
[4-[[4-(4-chlorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 42861799
[2-(1-aminoethyl)morpholin-4-yl]-(4-methoxyphenyl)methanone
CID 81484356
furan-3-yl-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]methanone
CID 42861355
[2-(aminomethyl)morpholin-4-yl]-(3,5-dihydroxyphenyl)methanone
CID 107702086
(3,5-dimethoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208576
methyl 2-[4-(4-hydroxybenzoyl)morpholin-2-yl]acetate
CID 115534950
2-[4-[2-(hydroxymethyl)morpholine-4-carbonyl]phenoxy]acetamide
CID 81197417
(4-methoxyphenyl)-[2-[[(4-methyl-1,2,4-triazol-3-yl)methylamino]methyl]morpholin-4-yl]methanone
CID 146147741
[(2R)-2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]-(4-methylphenyl)methanone
CID 93327745

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(aminomethyl)morpholin-4-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [(2S)-2-(aminomethyl)morpholin-4-yl]-(4-methoxyphenyl)methanone (CID 42252495) is [(2S)-2-(aminomethyl)morpholin-4-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [(2S)-2-(aminomethyl)morpholin-4-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [(2S)-2-(aminomethyl)morpholin-4-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCO[C@@H](CN)C2)cc1.
What is the InChIKey of [(2S)-2-(aminomethyl)morpholin-4-yl]-(4-methoxyphenyl)methanone?
The InChIKey is UJVBUAKZXKNQCO-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-17-11-4-2-10(3-5-11)13(16)15-6-7-18-12(8-14)9-15/h2-5,12H,6-9,14H2,1H3/t12-/m0/s1.
What are the key properties of [(2S)-2-(aminomethyl)morpholin-4-yl]-(4-methoxyphenyl)methanone?
[(2S)-2-(aminomethyl)morpholin-4-yl]-(4-methoxyphenyl)methanone has a molecular weight of 250.30 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(aminomethyl)morpholin-4-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 42252495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).