methyl 4-(aminomethyl)-5-(4-methylphenyl)pentanoate

C14H21NO2 — CID 163602384

IUPACmethyl 4-(aminomethyl)-5-(4-methylphenyl)pentanoate
SMILESCOC(=O)CCC(CN)Cc1ccc(C)cc1
InChIInChI=1S/C14H21NO2/c1-11-3-5-12(6-4-11)9-13(10-15)7-8-14(16)17-2/h3-6,13H,7-10,15H2,1-2H3
InChIKeyGYTGGLVNZIZZRY-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.07
Rot. Bonds6

About methyl 4-(aminomethyl)-5-(4-methylphenyl)pentanoate

methyl 4-(aminomethyl)-5-(4-methylphenyl)pentanoate (PubChem CID 163602384) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is methyl 4-(aminomethyl)-5-(4-methylphenyl)pentanoate.

Molecular Properties

Compound Namemethyl 4-(aminomethyl)-5-(4-methylphenyl)pentanoate
PubChem CID163602384
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Namemethyl 4-(aminomethyl)-5-(4-methylphenyl)pentanoate
SMILESCOC(=O)CCC(CN)Cc1ccc(C)cc1
InChIInChI=1S/C14H21NO2/c1-11-3-5-12(6-4-11)9-13(10-15)7-8-14(16)17-2/h3-6,13H,7-10,15H2,1-2H3
InChIKeyGYTGGLVNZIZZRY-UHFFFAOYSA-N
XLogP2.07
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-amino-5-(4-methylphenyl)pentanoate
CID 62960950
methyl 2-(aminomethyl)-3-(4-methylphenyl)propanoate
CID 43148192
(2S)-2-(aminomethyl)-3-(4-methylphenyl)propan-1-ol
CID 42328832
2-[(4-methylphenyl)methyl]heptan-1-amine
CID 62503996
2-benzyl-3-(4-methylphenyl)propan-1-amine
CID 62504695
ethane;methyl 2-methyl-3-(4-methylphenyl)propanoate
CID 143972030
methyl (2R)-2-amino-3-(4-methylphenyl)propanoate;hydrochloride
CID 54763157
4-methyl-2-[(4-methylphenyl)methyl]pentan-1-amine
CID 62505527
methyl 2-aminooxy-3-(4-methylphenyl)propanoate
CID 163416905
methyl 2-amino-3-[4-(4-methylphenyl)phenyl]propanoate
CID 57296251
methyl 3-[methyl-[(4-methylphenyl)methyl]amino]propanoate
CID 28830279
methyl 3-[(4-methylphenyl)methylsulfanyl]propanoate
CID 17380371

Frequently Asked Questions

What is the IUPAC name of methyl 4-(aminomethyl)-5-(4-methylphenyl)pentanoate?
The IUPAC name of methyl 4-(aminomethyl)-5-(4-methylphenyl)pentanoate (CID 163602384) is methyl 4-(aminomethyl)-5-(4-methylphenyl)pentanoate.
What is the SMILES notation for methyl 4-(aminomethyl)-5-(4-methylphenyl)pentanoate?
The canonical SMILES for methyl 4-(aminomethyl)-5-(4-methylphenyl)pentanoate is COC(=O)CCC(CN)Cc1ccc(C)cc1.
What is the InChIKey of methyl 4-(aminomethyl)-5-(4-methylphenyl)pentanoate?
The InChIKey is GYTGGLVNZIZZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11-3-5-12(6-4-11)9-13(10-15)7-8-14(16)17-2/h3-6,13H,7-10,15H2,1-2H3.
What are the key properties of methyl 4-(aminomethyl)-5-(4-methylphenyl)pentanoate?
methyl 4-(aminomethyl)-5-(4-methylphenyl)pentanoate has a molecular weight of 235.33 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(aminomethyl)-5-(4-methylphenyl)pentanoate is sourced from PubChem (CID 163602384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).