1-[4-[2-[[(2R)-1-phenylpropan-2-yl]amino]ethoxy]phenyl]propan-1-one

C20H25NO2 — CID 92938916

IUPAC1-[4-[2-[[(2R)-1-phenylpropan-2-yl]amino]ethoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OCCN[C@H](C)Cc2ccccc2)cc1
InChIInChI=1S/C20H25NO2/c1-3-20(22)18-9-11-19(12-10-18)23-14-13-21-16(2)15-17-7-5-4-6-8-17/h4-12,16,21H,3,13-15H2,1-2H3/t16-/m1/s1
InChIKeyFGJHEOOYCPIULG-MRXNPFEDSA-N
MW311.43 g/mol
LogP3.88
Rot. Bonds9

About 1-[4-[2-[[(2R)-1-phenylpropan-2-yl]amino]ethoxy]phenyl]propan-1-one

1-[4-[2-[[(2R)-1-phenylpropan-2-yl]amino]ethoxy]phenyl]propan-1-one (PubChem CID 92938916) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-[4-[2-[[(2R)-1-phenylpropan-2-yl]amino]ethoxy]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-[2-[[(2R)-1-phenylpropan-2-yl]amino]ethoxy]phenyl]propan-1-one
PubChem CID92938916
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name1-[4-[2-[[(2R)-1-phenylpropan-2-yl]amino]ethoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OCCN[C@H](C)Cc2ccccc2)cc1
InChIInChI=1S/C20H25NO2/c1-3-20(22)18-9-11-19(12-10-18)23-14-13-21-16(2)15-17-7-5-4-6-8-17/h4-12,16,21H,3,13-15H2,1-2H3/t16-/m1/s1
InChIKeyFGJHEOOYCPIULG-MRXNPFEDSA-N
XLogP3.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[4-[2-[[(2S)-1-phenylpropan-2-yl]amino]ethoxy]phenyl]propan-1-ol
CID 76965912
N-[2-[4-[ethoxy(phenyl)methyl]phenoxy]ethyl]-1-phenylpropan-2-amine
CID 21421947
phenyl-[2-[2-(1-phenylpropan-2-ylamino)ethoxy]phenyl]methanone
CID 25272
1-phenyl-3-(4-propanoylphenoxy)propan-1-one
CID 116692107
N-[2-(3-bromophenoxy)ethyl]-1-phenylpropan-2-amine
CID 63011429
N-[2-[4-(cyclohexylmethyl)phenoxy]ethyl]-1-phenylpropan-2-amine;hydrochloride
CID 21421948
4-[2-(4-hydroxypentan-2-ylamino)ethoxy]benzoic acid
CID 103263680
1-phenyl-2-(1-phenylpropan-2-ylamino)ethanone;hydrochloride
CID 12910708
methyl 3-[4-[2-(propylamino)propyl]phenoxy]propanoate
CID 115495159
3-(4-propanoylphenoxy)propanoic acid
CID 3050237
N-[2-(4-phenoxyphenoxy)ethyl]butan-2-amine
CID 63504622
acetic acid;N-ethyl-1-phenylpropan-2-amine
CID 22214099

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[[(2R)-1-phenylpropan-2-yl]amino]ethoxy]phenyl]propan-1-one?
The IUPAC name of 1-[4-[2-[[(2R)-1-phenylpropan-2-yl]amino]ethoxy]phenyl]propan-1-one (CID 92938916) is 1-[4-[2-[[(2R)-1-phenylpropan-2-yl]amino]ethoxy]phenyl]propan-1-one.
What is the SMILES notation for 1-[4-[2-[[(2R)-1-phenylpropan-2-yl]amino]ethoxy]phenyl]propan-1-one?
The canonical SMILES for 1-[4-[2-[[(2R)-1-phenylpropan-2-yl]amino]ethoxy]phenyl]propan-1-one is CCC(=O)c1ccc(OCCN[C@H](C)Cc2ccccc2)cc1.
What is the InChIKey of 1-[4-[2-[[(2R)-1-phenylpropan-2-yl]amino]ethoxy]phenyl]propan-1-one?
The InChIKey is FGJHEOOYCPIULG-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H25NO2/c1-3-20(22)18-9-11-19(12-10-18)23-14-13-21-16(2)15-17-7-5-4-6-8-17/h4-12,16,21H,3,13-15H2,1-2H3/t16-/m1/s1.
What are the key properties of 1-[4-[2-[[(2R)-1-phenylpropan-2-yl]amino]ethoxy]phenyl]propan-1-one?
1-[4-[2-[[(2R)-1-phenylpropan-2-yl]amino]ethoxy]phenyl]propan-1-one has a molecular weight of 311.43 g/mol, XLogP of 3.88, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[[(2R)-1-phenylpropan-2-yl]amino]ethoxy]phenyl]propan-1-one is sourced from PubChem (CID 92938916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).