methyl 2-[3-[(2R)-2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]acetate

C20H25NO2 — CID 46938717

IUPACmethyl 2-[3-[(2R)-2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]acetate
SMILESCOC(=O)Cc1cccc(C[C@@H](C)N[C@H](C)c2ccccc2)c1
InChIInChI=1S/C20H25NO2/c1-15(21-16(2)19-10-5-4-6-11-19)12-17-8-7-9-18(13-17)14-20(22)23-3/h4-11,13,15-16,21H,12,14H2,1-3H3/t15-,16-/m1/s1
InChIKeyBPGREBLIYAFVNF-HZPDHXFCSA-N
MW311.43 g/mol
LogP3.68
Rot. Bonds7

About methyl 2-[3-[(2R)-2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]acetate

methyl 2-[3-[(2R)-2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]acetate (PubChem CID 46938717) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is methyl 2-[3-[(2R)-2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[(2R)-2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]acetate
PubChem CID46938717
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Namemethyl 2-[3-[(2R)-2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]acetate
SMILESCOC(=O)Cc1cccc(C[C@@H](C)N[C@H](C)c2ccccc2)c1
InChIInChI=1S/C20H25NO2/c1-15(21-16(2)19-10-5-4-6-11-19)12-17-8-7-9-18(13-17)14-20(22)23-3/h4-11,13,15-16,21H,12,14H2,1-3H3/t15-,16-/m1/s1
InChIKeyBPGREBLIYAFVNF-HZPDHXFCSA-N
XLogP3.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-[3-[(2R)-2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]acetate with MolForge

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Related Compounds

methyl 2-[3-[(2R)-2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]acetate;hydrochloride
CID 46938908
2-[3-[(2S)-2-[[(1S)-1-phenylethyl]amino]propyl]phenyl]acetic acid;hydrochloride
CID 66782242
2-[3-[(2R)-2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]acetic acid;hydrochloride
CID 68718395
2-methyl-3-[3-[(2R)-2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]propanoic acid
CID 68837599
3-[3-[(2R)-2-(1-phenylethylamino)propyl]phenyl]propanoic acid
CID 68719445
2-[3-[2-(1-phenylethylamino)propyl]phenyl]propanoic acid
CID 69325178
tert-butyl N-[2-[3-[2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]ethyl]carbamate
CID 66781839
[3-(2-methoxy-2-oxoethyl)phenyl]methyl-triphenylphosphanium bromide
CID 88721522
methyl (3S)-5-phenyl-3-[[(1R)-1-phenylethyl]amino]pentanoate
CID 70071367
CID 172801156
CID 172801156
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-2-amine
CID 81366808
2-[3-(2-methoxy-2-oxoethyl)phenyl]ethanethioic S-acid
CID 87853811

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[(2R)-2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]acetate?
The IUPAC name of methyl 2-[3-[(2R)-2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]acetate (CID 46938717) is methyl 2-[3-[(2R)-2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[3-[(2R)-2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]acetate?
The canonical SMILES for methyl 2-[3-[(2R)-2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]acetate is COC(=O)Cc1cccc(C[C@@H](C)N[C@H](C)c2ccccc2)c1.
What is the InChIKey of methyl 2-[3-[(2R)-2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]acetate?
The InChIKey is BPGREBLIYAFVNF-HZPDHXFCSA-N. The full InChI is InChI=1S/C20H25NO2/c1-15(21-16(2)19-10-5-4-6-11-19)12-17-8-7-9-18(13-17)14-20(22)23-3/h4-11,13,15-16,21H,12,14H2,1-3H3/t15-,16-/m1/s1.
What are the key properties of methyl 2-[3-[(2R)-2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]acetate?
methyl 2-[3-[(2R)-2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]acetate has a molecular weight of 311.43 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[(2R)-2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]acetate is sourced from PubChem (CID 46938717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).