methyl 2-(2-phenylethylamino)hexanoate

C15H23NO2 — CID 103868302

IUPACmethyl 2-(2-phenylethylamino)hexanoate
SMILESCCCCC(NCCc1ccccc1)C(=O)OC
InChIInChI=1S/C15H23NO2/c1-3-4-10-14(15(17)18-2)16-12-11-13-8-6-5-7-9-13/h5-9,14,16H,3-4,10-12H2,1-2H3
InChIKeyLMHWRAUNGZNASF-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.55
Rot. Bonds8

About methyl 2-(2-phenylethylamino)hexanoate

methyl 2-(2-phenylethylamino)hexanoate (PubChem CID 103868302) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is methyl 2-(2-phenylethylamino)hexanoate.

Molecular Properties

Compound Namemethyl 2-(2-phenylethylamino)hexanoate
PubChem CID103868302
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Namemethyl 2-(2-phenylethylamino)hexanoate
SMILESCCCCC(NCCc1ccccc1)C(=O)OC
InChIInChI=1S/C15H23NO2/c1-3-4-10-14(15(17)18-2)16-12-11-13-8-6-5-7-9-13/h5-9,14,16H,3-4,10-12H2,1-2H3
InChIKeyLMHWRAUNGZNASF-UHFFFAOYSA-N
XLogP2.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(3-phenylpropylamino)hexanoate
CID 113341951
methyl 4-hydroxy-2-(propylamino)butanoate;3-phenylpropan-1-ol
CID 174808720
ethyl 4-phenyl-2-(propylamino)butanoate
CID 62880935
methyl 2-[2-(1-methylpyrazol-4-yl)ethylamino]hexanoate
CID 103258279
methyl 3-hydroxy-2-(3-phenylpropylamino)propanoate
CID 15193085
methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-5-phenylpentanoate
CID 171550382
methyl 2-(ethylamino)-4-(3-phenylpropoxy)butanoate
CID 63034614
ethyl 2-(5-aminopentylamino)-4-phenylbutanoate
CID 70340285
methyl 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]hexanoate
CID 106401863
methyl 2-[(4-amino-4-oxobutyl)amino]hexanoate
CID 103868400
methyl (2S)-2-(chloroamino)-4-phenylbutanoate
CID 121299211
N-(2-phenylethyl)octan-4-amine
CID 11128217

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-phenylethylamino)hexanoate?
The IUPAC name of methyl 2-(2-phenylethylamino)hexanoate (CID 103868302) is methyl 2-(2-phenylethylamino)hexanoate.
What is the SMILES notation for methyl 2-(2-phenylethylamino)hexanoate?
The canonical SMILES for methyl 2-(2-phenylethylamino)hexanoate is CCCCC(NCCc1ccccc1)C(=O)OC.
What is the InChIKey of methyl 2-(2-phenylethylamino)hexanoate?
The InChIKey is LMHWRAUNGZNASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-4-10-14(15(17)18-2)16-12-11-13-8-6-5-7-9-13/h5-9,14,16H,3-4,10-12H2,1-2H3.
What are the key properties of methyl 2-(2-phenylethylamino)hexanoate?
methyl 2-(2-phenylethylamino)hexanoate has a molecular weight of 249.35 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-phenylethylamino)hexanoate is sourced from PubChem (CID 103868302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).