(1S)-2-[methyl-[3-(4-phenylmethoxyphenyl)propyl]amino]-1-phenylethanol

C25H29NO2 — CID 70593836

IUPAC(1S)-2-[methyl-[3-(4-phenylmethoxyphenyl)propyl]amino]-1-phenylethanol
SMILESCN(CCCc1ccc(OCc2ccccc2)cc1)C[C@@H](O)c1ccccc1
InChIInChI=1S/C25H29NO2/c1-26(19-25(27)23-12-6-3-7-13-23)18-8-11-21-14-16-24(17-15-21)28-20-22-9-4-2-5-10-22/h2-7,9-10,12-17,25,27H,8,11,18-20H2,1H3/t25-/m1/s1
InChIKeyKAJVIIHOQDMRJR-RUZDIDTESA-N
MW375.51 g/mol
LogP4.86
Rot. Bonds10

About (1S)-2-[methyl-[3-(4-phenylmethoxyphenyl)propyl]amino]-1-phenylethanol

(1S)-2-[methyl-[3-(4-phenylmethoxyphenyl)propyl]amino]-1-phenylethanol (PubChem CID 70593836) has the molecular formula C25H29NO2 and a molecular weight of 375.51 g/mol. Its IUPAC name is (1S)-2-[methyl-[3-(4-phenylmethoxyphenyl)propyl]amino]-1-phenylethanol.

Molecular Properties

Compound Name(1S)-2-[methyl-[3-(4-phenylmethoxyphenyl)propyl]amino]-1-phenylethanol
PubChem CID70593836
Molecular FormulaC25H29NO2
Molecular Weight375.51 g/mol
Exact Mass375.22
IUPAC Name(1S)-2-[methyl-[3-(4-phenylmethoxyphenyl)propyl]amino]-1-phenylethanol
SMILESCN(CCCc1ccc(OCc2ccccc2)cc1)C[C@@H](O)c1ccccc1
InChIInChI=1S/C25H29NO2/c1-26(19-25(27)23-12-6-3-7-13-23)18-8-11-21-14-16-24(17-15-21)28-20-22-9-4-2-5-10-22/h2-7,9-10,12-17,25,27H,8,11,18-20H2,1H3/t25-/m1/s1
InChIKeyKAJVIIHOQDMRJR-RUZDIDTESA-N
XLogP4.86
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-methylamino]propyl]phenol
CID 70462662
(1S)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-1-phenylethanol
CID 2106515
2-[2-hydroxyethyl-[3-[4-(phenoxymethyl)phenyl]propyl]amino]ethanol
CID 29761
6-(4-phenylmethoxyphenyl)hexanoic acid
CID 138486172
(2S)-4-(4-phenylmethoxyphenyl)butan-2-ol
CID 93002881
(2R)-1-[2-hydroxyethyl-[3-[4-(phenoxymethyl)phenyl]propyl]amino]pentan-2-ol
CID 97182483
3-[methyl-[(4-phenylmethoxyphenyl)methyl]amino]propanoic acid
CID 119134997
1-(4-phenylmethoxyphenyl)hexan-1-ol
CID 65145694
(1R)-1-(4-phenylmethoxyphenyl)ethane-1,2-diol
CID 71416199
(2S)-2-[(2S)-2-hydroxy-2-[4-(4-phenylmethoxyphenyl)phenyl]ethyl]-5-phenylpentanoic acid
CID 57129437
1-(8-methoxyoctyl)-4-phenylmethoxybenzene
CID 15052396
2-methoxy-1-(4-phenylmethoxyphenyl)ethanol
CID 13050554

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[methyl-[3-(4-phenylmethoxyphenyl)propyl]amino]-1-phenylethanol?
The IUPAC name of (1S)-2-[methyl-[3-(4-phenylmethoxyphenyl)propyl]amino]-1-phenylethanol (CID 70593836) is (1S)-2-[methyl-[3-(4-phenylmethoxyphenyl)propyl]amino]-1-phenylethanol.
What is the SMILES notation for (1S)-2-[methyl-[3-(4-phenylmethoxyphenyl)propyl]amino]-1-phenylethanol?
The canonical SMILES for (1S)-2-[methyl-[3-(4-phenylmethoxyphenyl)propyl]amino]-1-phenylethanol is CN(CCCc1ccc(OCc2ccccc2)cc1)C[C@@H](O)c1ccccc1.
What is the InChIKey of (1S)-2-[methyl-[3-(4-phenylmethoxyphenyl)propyl]amino]-1-phenylethanol?
The InChIKey is KAJVIIHOQDMRJR-RUZDIDTESA-N. The full InChI is InChI=1S/C25H29NO2/c1-26(19-25(27)23-12-6-3-7-13-23)18-8-11-21-14-16-24(17-15-21)28-20-22-9-4-2-5-10-22/h2-7,9-10,12-17,25,27H,8,11,18-20H2,1H3/t25-/m1/s1.
What are the key properties of (1S)-2-[methyl-[3-(4-phenylmethoxyphenyl)propyl]amino]-1-phenylethanol?
(1S)-2-[methyl-[3-(4-phenylmethoxyphenyl)propyl]amino]-1-phenylethanol has a molecular weight of 375.51 g/mol, XLogP of 4.86, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[methyl-[3-(4-phenylmethoxyphenyl)propyl]amino]-1-phenylethanol is sourced from PubChem (CID 70593836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).