methyl 2-(ethylamino)-3-[methyl(2-phenylethyl)amino]propanoate

C15H24N2O2 — CID 65487284

IUPACmethyl 2-(ethylamino)-3-[methyl(2-phenylethyl)amino]propanoate
SMILESCCNC(CN(C)CCc1ccccc1)C(=O)OC
InChIInChI=1S/C15H24N2O2/c1-4-16-14(15(18)19-3)12-17(2)11-10-13-8-6-5-7-9-13/h5-9,14,16H,4,10-12H2,1-3H3
InChIKeyPFOSYQGTUIKVFR-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.31
Rot. Bonds8

About methyl 2-(ethylamino)-3-[methyl(2-phenylethyl)amino]propanoate

methyl 2-(ethylamino)-3-[methyl(2-phenylethyl)amino]propanoate (PubChem CID 65487284) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is methyl 2-(ethylamino)-3-[methyl(2-phenylethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-(ethylamino)-3-[methyl(2-phenylethyl)amino]propanoate
PubChem CID65487284
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Namemethyl 2-(ethylamino)-3-[methyl(2-phenylethyl)amino]propanoate
SMILESCCNC(CN(C)CCc1ccccc1)C(=O)OC
InChIInChI=1S/C15H24N2O2/c1-4-16-14(15(18)19-3)12-17(2)11-10-13-8-6-5-7-9-13/h5-9,14,16H,4,10-12H2,1-3H3
InChIKeyPFOSYQGTUIKVFR-UHFFFAOYSA-N
XLogP1.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-3-[methyl(2-phenylethyl)amino]propanamide
CID 65487669
2-(ethylamino)-3-[methyl(2-phenylethyl)amino]propanoic acid
CID 65485946
methyl 2-methyl-3-[methyl(2-phenylethyl)amino]propanoate
CID 62011888
ethyl 3-[methyl(2-phenylethyl)amino]-2-(propan-2-ylamino)propanoate
CID 65486141
2-N-ethyl-1-N-methyl-1-N-(2-phenylethyl)butane-1,2-diamine
CID 65487022
methyl 2-(ethylamino)-4-(3-phenylpropoxy)butanoate
CID 63034614
methyl 2-methyl-3-[methyl(2-phenylethyl)amino]butanoate
CID 79414965
methyl 4-benzylsulfanyl-2-(ethylamino)butanoate
CID 63034825
methyl (2S)-2-(chloroamino)-4-phenylbutanoate
CID 121299211
methyl 2-(2-phenylethylamino)hexanoate
CID 103868302
methyl (2S)-3-[(3-methoxy-3-oxopropyl)-(2-phenylethyl)amino]-2-methylpropanoate
CID 125496724
(2R)-2-(ethylamino)-5-phenylpentanoic acid
CID 151918023

Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethylamino)-3-[methyl(2-phenylethyl)amino]propanoate?
The IUPAC name of methyl 2-(ethylamino)-3-[methyl(2-phenylethyl)amino]propanoate (CID 65487284) is methyl 2-(ethylamino)-3-[methyl(2-phenylethyl)amino]propanoate.
What is the SMILES notation for methyl 2-(ethylamino)-3-[methyl(2-phenylethyl)amino]propanoate?
The canonical SMILES for methyl 2-(ethylamino)-3-[methyl(2-phenylethyl)amino]propanoate is CCNC(CN(C)CCc1ccccc1)C(=O)OC.
What is the InChIKey of methyl 2-(ethylamino)-3-[methyl(2-phenylethyl)amino]propanoate?
The InChIKey is PFOSYQGTUIKVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-16-14(15(18)19-3)12-17(2)11-10-13-8-6-5-7-9-13/h5-9,14,16H,4,10-12H2,1-3H3.
What are the key properties of methyl 2-(ethylamino)-3-[methyl(2-phenylethyl)amino]propanoate?
methyl 2-(ethylamino)-3-[methyl(2-phenylethyl)amino]propanoate has a molecular weight of 264.37 g/mol, XLogP of 1.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(ethylamino)-3-[methyl(2-phenylethyl)amino]propanoate is sourced from PubChem (CID 65487284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).