5-(3-aminopropyl)-4-[(2-methylphenyl)methyl]morpholin-3-one

C15H22N2O2 — CID 115060596

IUPAC5-(3-aminopropyl)-4-[(2-methylphenyl)methyl]morpholin-3-one
SMILESCc1ccccc1CN1C(=O)COCC1CCCN
InChIInChI=1S/C15H22N2O2/c1-12-5-2-3-6-13(12)9-17-14(7-4-8-16)10-19-11-15(17)18/h2-3,5-6,14H,4,7-11,16H2,1H3
InChIKeyBXAYVBWCSPYOMT-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.46
Rot. Bonds5

About 5-(3-aminopropyl)-4-[(2-methylphenyl)methyl]morpholin-3-one

5-(3-aminopropyl)-4-[(2-methylphenyl)methyl]morpholin-3-one (PubChem CID 115060596) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 5-(3-aminopropyl)-4-[(2-methylphenyl)methyl]morpholin-3-one.

Molecular Properties

Compound Name5-(3-aminopropyl)-4-[(2-methylphenyl)methyl]morpholin-3-one
PubChem CID115060596
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name5-(3-aminopropyl)-4-[(2-methylphenyl)methyl]morpholin-3-one
SMILESCc1ccccc1CN1C(=O)COCC1CCCN
InChIInChI=1S/C15H22N2O2/c1-12-5-2-3-6-13(12)9-17-14(7-4-8-16)10-19-11-15(17)18/h2-3,5-6,14H,4,7-11,16H2,1H3
InChIKeyBXAYVBWCSPYOMT-UHFFFAOYSA-N
XLogP1.46
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-aminopropyl)-4-benzylmorpholin-3-one
CID 115060565
3-[4-[(2-methylphenyl)methyl]-5-oxomorpholin-3-yl]propanoic acid
CID 115060609
5-(3-aminopropyl)-4-(2-chlorophenyl)morpholin-3-one
CID 115060484
3-[4-[(2-chlorophenyl)methyl]-5-oxomorpholin-3-yl]propanoic acid
CID 115060611
5-(hydroxymethyl)-4-[(2-methoxyphenyl)methyl]morpholin-3-one
CID 115102814
5-(2-aminoethyl)-4-[(3-hydroxyphenyl)methyl]morpholin-3-one
CID 115060562
5-(3-aminopropyl)-4-(4-hydroxyphenyl)morpholin-3-one
CID 115060512
5-(3-aminopropyl)-4-cyclopentylmorpholin-3-one
CID 115060442
(5S)-5-amino-4-benzylmorpholin-3-one
CID 68600910
4-(2-aminoethyl)-3-[(2-hydroxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 115060206
6-ethyl-5-[(2-methylphenyl)methyl]-1,4,5-oxathiazepane 4,4-dioxide
CID 24816502
3-[5-oxo-4-(pyridin-4-ylmethyl)morpholin-3-yl]propanoic acid
CID 117009713

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)-4-[(2-methylphenyl)methyl]morpholin-3-one?
The IUPAC name of 5-(3-aminopropyl)-4-[(2-methylphenyl)methyl]morpholin-3-one (CID 115060596) is 5-(3-aminopropyl)-4-[(2-methylphenyl)methyl]morpholin-3-one.
What is the SMILES notation for 5-(3-aminopropyl)-4-[(2-methylphenyl)methyl]morpholin-3-one?
The canonical SMILES for 5-(3-aminopropyl)-4-[(2-methylphenyl)methyl]morpholin-3-one is Cc1ccccc1CN1C(=O)COCC1CCCN.
What is the InChIKey of 5-(3-aminopropyl)-4-[(2-methylphenyl)methyl]morpholin-3-one?
The InChIKey is BXAYVBWCSPYOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12-5-2-3-6-13(12)9-17-14(7-4-8-16)10-19-11-15(17)18/h2-3,5-6,14H,4,7-11,16H2,1H3.
What are the key properties of 5-(3-aminopropyl)-4-[(2-methylphenyl)methyl]morpholin-3-one?
5-(3-aminopropyl)-4-[(2-methylphenyl)methyl]morpholin-3-one has a molecular weight of 262.35 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropyl)-4-[(2-methylphenyl)methyl]morpholin-3-one is sourced from PubChem (CID 115060596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).