ethyl 2-(aminomethyl)-4-methyl-2-[(4-methylphenyl)methyl]pentanoate

C17H27NO2 — CID 106488870

IUPACethyl 2-(aminomethyl)-4-methyl-2-[(4-methylphenyl)methyl]pentanoate
SMILESCCOC(=O)C(CN)(Cc1ccc(C)cc1)CC(C)C
InChIInChI=1S/C17H27NO2/c1-5-20-16(19)17(12-18,10-13(2)3)11-15-8-6-14(4)7-9-15/h6-9,13H,5,10-12,18H2,1-4H3
InChIKeyFDYYVPPERPFXSV-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.09
Rot. Bonds7

About ethyl 2-(aminomethyl)-4-methyl-2-[(4-methylphenyl)methyl]pentanoate

ethyl 2-(aminomethyl)-4-methyl-2-[(4-methylphenyl)methyl]pentanoate (PubChem CID 106488870) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is ethyl 2-(aminomethyl)-4-methyl-2-[(4-methylphenyl)methyl]pentanoate.

Molecular Properties

Compound Nameethyl 2-(aminomethyl)-4-methyl-2-[(4-methylphenyl)methyl]pentanoate
PubChem CID106488870
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Nameethyl 2-(aminomethyl)-4-methyl-2-[(4-methylphenyl)methyl]pentanoate
SMILESCCOC(=O)C(CN)(Cc1ccc(C)cc1)CC(C)C
InChIInChI=1S/C17H27NO2/c1-5-20-16(19)17(12-18,10-13(2)3)11-15-8-6-14(4)7-9-15/h6-9,13H,5,10-12,18H2,1-4H3
InChIKeyFDYYVPPERPFXSV-UHFFFAOYSA-N
XLogP3.09
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(aminomethyl)-2-[(4-methylphenyl)methyl]pentanoate
CID 106488221
2-ethoxycarbonyl-4-methyl-2-[(4-methylphenyl)methyl]pentanoic acid
CID 103973957
ethyl 2-(aminomethyl)-4-methyl-2-(2,2,2-trifluoroethyl)pentanoate
CID 106488875
ethyl 2-(aminomethyl)-2-(methoxymethyl)-4-methylpentanoate
CID 106488843
2-(aminomethyl)-2-[(3,5-dimethylphenyl)methyl]-4-methylpentanoic acid
CID 106489052
ethyl 2-(aminomethyl)-4-methyl-2-[(2-propyl-1,2,4-triazol-3-yl)methyl]pentanoate
CID 106488835
ethyl 2-(aminomethyl)-2-(3-methoxypropyl)-4-methylpentanoate
CID 106488906
ethyl 2-(aminomethyl)-2-(cyclobutylmethyl)-4-methylpentanoate
CID 106488952
2-[(4-bromophenyl)methyl]-2-ethoxycarbonyl-4-methylpentanoic acid
CID 103974035
ethyl 2-(aminomethyl)-2-benzyl-3-methylbutanoate
CID 106488665
ethyl (2R)-2-(aminomethyl)-2-benzyl-3-(2-iodophenyl)propanoate
CID 134953429
ethyl 2-(aminomethyl)-2-(cyclohexylmethyl)-4-methylpentanoate
CID 106488918

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(aminomethyl)-4-methyl-2-[(4-methylphenyl)methyl]pentanoate?
The IUPAC name of ethyl 2-(aminomethyl)-4-methyl-2-[(4-methylphenyl)methyl]pentanoate (CID 106488870) is ethyl 2-(aminomethyl)-4-methyl-2-[(4-methylphenyl)methyl]pentanoate.
What is the SMILES notation for ethyl 2-(aminomethyl)-4-methyl-2-[(4-methylphenyl)methyl]pentanoate?
The canonical SMILES for ethyl 2-(aminomethyl)-4-methyl-2-[(4-methylphenyl)methyl]pentanoate is CCOC(=O)C(CN)(Cc1ccc(C)cc1)CC(C)C.
What is the InChIKey of ethyl 2-(aminomethyl)-4-methyl-2-[(4-methylphenyl)methyl]pentanoate?
The InChIKey is FDYYVPPERPFXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-5-20-16(19)17(12-18,10-13(2)3)11-15-8-6-14(4)7-9-15/h6-9,13H,5,10-12,18H2,1-4H3.
What are the key properties of ethyl 2-(aminomethyl)-4-methyl-2-[(4-methylphenyl)methyl]pentanoate?
ethyl 2-(aminomethyl)-4-methyl-2-[(4-methylphenyl)methyl]pentanoate has a molecular weight of 277.41 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(aminomethyl)-4-methyl-2-[(4-methylphenyl)methyl]pentanoate is sourced from PubChem (CID 106488870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).