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

C20H27NO2 — CID 76965912

IUPAC(1R)-1-[4-[2-[[(2S)-1-phenylpropan-2-yl]amino]ethoxy]phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccc(OCCN[C@@H](C)Cc2ccccc2)cc1
InChIInChI=1S/C20H27NO2/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/h4-12,16,20-22H,3,13-15H2,1-2H3/t16-,20+/m0/s1
InChIKeyDOBLSWXRNYSVDC-OXJNMPFZSA-N
MW313.44 g/mol
LogP3.73
Rot. Bonds9

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

(1R)-1-[4-[2-[[(2S)-1-phenylpropan-2-yl]amino]ethoxy]phenyl]propan-1-ol (PubChem CID 76965912) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is (1R)-1-[4-[2-[[(2S)-1-phenylpropan-2-yl]amino]ethoxy]phenyl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[4-[2-[[(2S)-1-phenylpropan-2-yl]amino]ethoxy]phenyl]propan-1-ol
PubChem CID76965912
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Name(1R)-1-[4-[2-[[(2S)-1-phenylpropan-2-yl]amino]ethoxy]phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccc(OCCN[C@@H](C)Cc2ccccc2)cc1
InChIInChI=1S/C20H27NO2/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/h4-12,16,20-22H,3,13-15H2,1-2H3/t16-,20+/m0/s1
InChIKeyDOBLSWXRNYSVDC-OXJNMPFZSA-N
XLogP3.73
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-[ethoxy(phenyl)methyl]phenoxy]ethyl]-1-phenylpropan-2-amine
CID 21421947
1-[4-[2-[[(2R)-1-phenylpropan-2-yl]amino]ethoxy]phenyl]propan-1-one
CID 92938916
(1S)-1-[4-(2-phenoxyethoxy)phenyl]propan-1-ol
CID 78932191
(1S)-1-[4-(3-phenylpropoxy)phenyl]propan-1-ol
CID 78933443
(1R)-1-[4-(3-phenoxypropoxy)phenyl]propan-1-ol
CID 63365592
N-[2-(4-phenoxyphenoxy)ethyl]butan-2-amine
CID 63504622
N-[2-(3-bromophenoxy)ethyl]-1-phenylpropan-2-amine
CID 63011429
(1R)-1-[4-(2-phenylsulfanylethoxy)phenyl]propan-1-ol
CID 79222984
N-[2-[4-(cyclohexylmethyl)phenoxy]ethyl]-1-phenylpropan-2-amine;hydrochloride
CID 21421948
1-(4-butoxyphenyl)propan-1-ol
CID 19979001
2-[4-[2-[[2-hydroxy-2-(4-phenylmethoxyphenyl)ethyl]amino]propyl]phenoxy]butanamide
CID 67933250
N-[2-(4-ethylphenoxy)ethyl]butan-2-amine
CID 54802109

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[2-[[(2S)-1-phenylpropan-2-yl]amino]ethoxy]phenyl]propan-1-ol?
The IUPAC name of (1R)-1-[4-[2-[[(2S)-1-phenylpropan-2-yl]amino]ethoxy]phenyl]propan-1-ol (CID 76965912) is (1R)-1-[4-[2-[[(2S)-1-phenylpropan-2-yl]amino]ethoxy]phenyl]propan-1-ol.
What is the SMILES notation for (1R)-1-[4-[2-[[(2S)-1-phenylpropan-2-yl]amino]ethoxy]phenyl]propan-1-ol?
The canonical SMILES for (1R)-1-[4-[2-[[(2S)-1-phenylpropan-2-yl]amino]ethoxy]phenyl]propan-1-ol is CC[C@@H](O)c1ccc(OCCN[C@@H](C)Cc2ccccc2)cc1.
What is the InChIKey of (1R)-1-[4-[2-[[(2S)-1-phenylpropan-2-yl]amino]ethoxy]phenyl]propan-1-ol?
The InChIKey is DOBLSWXRNYSVDC-OXJNMPFZSA-N. The full InChI is InChI=1S/C20H27NO2/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/h4-12,16,20-22H,3,13-15H2,1-2H3/t16-,20+/m0/s1.
What are the key properties of (1R)-1-[4-[2-[[(2S)-1-phenylpropan-2-yl]amino]ethoxy]phenyl]propan-1-ol?
(1R)-1-[4-[2-[[(2S)-1-phenylpropan-2-yl]amino]ethoxy]phenyl]propan-1-ol has a molecular weight of 313.44 g/mol, XLogP of 3.73, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[2-[[(2S)-1-phenylpropan-2-yl]amino]ethoxy]phenyl]propan-1-ol is sourced from PubChem (CID 76965912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).