methyl 4-[[4-(aminomethyl)-2-methylphenyl]methyl]morpholine-3-carboxylate

C15H22N2O3 — CID 114478936

IUPACmethyl 4-[[4-(aminomethyl)-2-methylphenyl]methyl]morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1Cc1ccc(CN)cc1C
InChIInChI=1S/C15H22N2O3/c1-11-7-12(8-16)3-4-13(11)9-17-5-6-20-10-14(17)15(18)19-2/h3-4,7,14H,5-6,8-10,16H2,1-2H3
InChIKeyPZJVZZVQRNIYHD-UHFFFAOYSA-N
MW278.35 g/mol
LogP0.83
Rot. Bonds4

About methyl 4-[[4-(aminomethyl)-2-methylphenyl]methyl]morpholine-3-carboxylate

methyl 4-[[4-(aminomethyl)-2-methylphenyl]methyl]morpholine-3-carboxylate (PubChem CID 114478936) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is methyl 4-[[4-(aminomethyl)-2-methylphenyl]methyl]morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[4-(aminomethyl)-2-methylphenyl]methyl]morpholine-3-carboxylate
PubChem CID114478936
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Namemethyl 4-[[4-(aminomethyl)-2-methylphenyl]methyl]morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1Cc1ccc(CN)cc1C
InChIInChI=1S/C15H22N2O3/c1-11-7-12(8-16)3-4-13(11)9-17-5-6-20-10-14(17)15(18)19-2/h3-4,7,14H,5-6,8-10,16H2,1-2H3
InChIKeyPZJVZZVQRNIYHD-UHFFFAOYSA-N
XLogP0.83
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(5-fluoro-2-methylphenyl)methyl]morpholine-3-carboxylate
CID 115970488
methyl 4-[(2,4-difluorophenyl)methyl]morpholine-3-carboxylate
CID 113253204
2-[2-[(3-methoxycarbonylmorpholin-4-yl)methyl]phenyl]acetic acid
CID 104775095
4-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N-methylmorpholine-3-carboxamide
CID 83098389
methyl 4-[(2-methoxycarbonylfuran-3-yl)methyl]morpholine-3-carboxylate
CID 115670655
methyl 4-[(2-fluorophenyl)methyl]morpholine-3-carboxylate
CID 113247715
methyl 4-[(5-chloro-2-methoxyphenyl)methyl]morpholine-3-carboxylate
CID 115670695
methyl 4-[(2-bromo-4-nitrophenyl)methyl]morpholine-3-carboxylate
CID 104775034
methyl 4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-3-carboxylate
CID 115670698
methyl 4-[(3-chloro-2-fluorophenyl)methyl]morpholine-3-carboxylate
CID 103886869
methyl 4-[(5-cyano-2-fluorophenyl)methyl]morpholine-3-carboxylate
CID 115670726
4-[(4-chloro-2-methylphenyl)methyl]morpholine-3-carboxylic acid
CID 114076020

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-(aminomethyl)-2-methylphenyl]methyl]morpholine-3-carboxylate?
The IUPAC name of methyl 4-[[4-(aminomethyl)-2-methylphenyl]methyl]morpholine-3-carboxylate (CID 114478936) is methyl 4-[[4-(aminomethyl)-2-methylphenyl]methyl]morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-[[4-(aminomethyl)-2-methylphenyl]methyl]morpholine-3-carboxylate?
The canonical SMILES for methyl 4-[[4-(aminomethyl)-2-methylphenyl]methyl]morpholine-3-carboxylate is COC(=O)C1COCCN1Cc1ccc(CN)cc1C.
What is the InChIKey of methyl 4-[[4-(aminomethyl)-2-methylphenyl]methyl]morpholine-3-carboxylate?
The InChIKey is PZJVZZVQRNIYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11-7-12(8-16)3-4-13(11)9-17-5-6-20-10-14(17)15(18)19-2/h3-4,7,14H,5-6,8-10,16H2,1-2H3.
What are the key properties of methyl 4-[[4-(aminomethyl)-2-methylphenyl]methyl]morpholine-3-carboxylate?
methyl 4-[[4-(aminomethyl)-2-methylphenyl]methyl]morpholine-3-carboxylate has a molecular weight of 278.35 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-(aminomethyl)-2-methylphenyl]methyl]morpholine-3-carboxylate is sourced from PubChem (CID 114478936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).