methyl 2-[[(4-propylphenyl)methylamino]methyl]butanoate

C16H25NO2 — CID 115253125

IUPACmethyl 2-[[(4-propylphenyl)methylamino]methyl]butanoate
SMILESCCCc1ccc(CNCC(CC)C(=O)OC)cc1
InChIInChI=1S/C16H25NO2/c1-4-6-13-7-9-14(10-8-13)11-17-12-15(5-2)16(18)19-3/h7-10,15,17H,4-6,11-12H2,1-3H3
InChIKeyGFSJFFPLJSGZFO-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.93
Rot. Bonds8

About methyl 2-[[(4-propylphenyl)methylamino]methyl]butanoate

methyl 2-[[(4-propylphenyl)methylamino]methyl]butanoate (PubChem CID 115253125) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is methyl 2-[[(4-propylphenyl)methylamino]methyl]butanoate.

Molecular Properties

Compound Namemethyl 2-[[(4-propylphenyl)methylamino]methyl]butanoate
PubChem CID115253125
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Namemethyl 2-[[(4-propylphenyl)methylamino]methyl]butanoate
SMILESCCCc1ccc(CNCC(CC)C(=O)OC)cc1
InChIInChI=1S/C16H25NO2/c1-4-6-13-7-9-14(10-8-13)11-17-12-15(5-2)16(18)19-3/h7-10,15,17H,4-6,11-12H2,1-3H3
InChIKeyGFSJFFPLJSGZFO-UHFFFAOYSA-N
XLogP2.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[2-(4-chlorophenyl)ethylamino]methyl]butanoate
CID 115253212
methyl 2-[[(4-fluoro-3-methylphenyl)methylamino]methyl]butanoate
CID 115253118
methyl 2-[[(4-methoxy-3-methylphenyl)methylamino]methyl]butanoate
CID 115253119
methyl 2-[(N-methyl-4-propylanilino)methyl]butanoate
CID 115253064
methyl 2-(4-propylphenyl)propanoate
CID 62801402
2-[(benzylamino)methyl]butanamide
CID 71433052
methyl 2-(ethylaminomethyl)-4-phenylbutanoate
CID 70089757
3-N-[(4-propylphenyl)methyl]propane-1,2,3-triamine
CID 115119666
methyl 2-amino-4-(4-propylphenyl)butanoate
CID 116851455
bis[(4-propylphenyl)methyl] 2,4-diethylpentanedioate
CID 141413388
4-hydroxy-5-[(4-propylphenyl)methylamino]pentanoic acid
CID 115122682
methyl N-[(4-propylphenyl)methyl]carbamate
CID 110780430

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(4-propylphenyl)methylamino]methyl]butanoate?
The IUPAC name of methyl 2-[[(4-propylphenyl)methylamino]methyl]butanoate (CID 115253125) is methyl 2-[[(4-propylphenyl)methylamino]methyl]butanoate.
What is the SMILES notation for methyl 2-[[(4-propylphenyl)methylamino]methyl]butanoate?
The canonical SMILES for methyl 2-[[(4-propylphenyl)methylamino]methyl]butanoate is CCCc1ccc(CNCC(CC)C(=O)OC)cc1.
What is the InChIKey of methyl 2-[[(4-propylphenyl)methylamino]methyl]butanoate?
The InChIKey is GFSJFFPLJSGZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-6-13-7-9-14(10-8-13)11-17-12-15(5-2)16(18)19-3/h7-10,15,17H,4-6,11-12H2,1-3H3.
What are the key properties of methyl 2-[[(4-propylphenyl)methylamino]methyl]butanoate?
methyl 2-[[(4-propylphenyl)methylamino]methyl]butanoate has a molecular weight of 263.38 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(4-propylphenyl)methylamino]methyl]butanoate is sourced from PubChem (CID 115253125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).