2-[4-(N-methyl-4-phenylmethoxyanilino)phenyl]propan-1-ol

C23H25NO2 — CID 118954631

IUPAC2-[4-(N-methyl-4-phenylmethoxyanilino)phenyl]propan-1-ol
SMILESCC(CO)c1ccc(N(C)c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C23H25NO2/c1-18(16-25)20-8-10-21(11-9-20)24(2)22-12-14-23(15-13-22)26-17-19-6-4-3-5-7-19/h3-15,18,25H,16-17H2,1-2H3
InChIKeyNZOOMORVUIPRKO-UHFFFAOYSA-N
MW347.46 g/mol
LogP5.13
Rot. Bonds7

About 2-[4-(N-methyl-4-phenylmethoxyanilino)phenyl]propan-1-ol

2-[4-(N-methyl-4-phenylmethoxyanilino)phenyl]propan-1-ol (PubChem CID 118954631) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-[4-(N-methyl-4-phenylmethoxyanilino)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-[4-(N-methyl-4-phenylmethoxyanilino)phenyl]propan-1-ol
PubChem CID118954631
Molecular FormulaC23H25NO2
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC Name2-[4-(N-methyl-4-phenylmethoxyanilino)phenyl]propan-1-ol
SMILESCC(CO)c1ccc(N(C)c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C23H25NO2/c1-18(16-25)20-8-10-21(11-9-20)24(2)22-12-14-23(15-13-22)26-17-19-6-4-3-5-7-19/h3-15,18,25H,16-17H2,1-2H3
InChIKeyNZOOMORVUIPRKO-UHFFFAOYSA-N
XLogP5.13
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.46
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(N-methyl-4-phenylmethoxyanilino)phenyl]butanenitrile
CID 118954426
3-(dimethylamino)-2-methyl-3-(4-phenylmethoxyphenyl)propan-1-ol
CID 83932925
(1R)-1-(4-phenylmethoxyphenyl)ethane-1,2-diol
CID 71416199
1-(4,4-dimethylpentan-2-yl)-4-phenylmethoxybenzene
CID 23566423
3-(4-phenylmethoxyphenyl)butanethioamide
CID 83932935
1-(4-phenylmethoxyphenyl)ethanethiol
CID 43124131
1-butan-2-yl-4-(phenoxymethyl)benzene
CID 59819141
4-(4-phenylmethoxyphenyl)pentanenitrile
CID 83932950
4-butan-2-ylphenol;1-[(4-butan-2-ylphenoxy)methyl]-3,5-bis(phenylmethoxy)benzene
CID 158085246
[3-hydroxy-1-(4-phenylmethoxyphenyl)propyl]-methylcarbamic acid
CID 148920800
N-hydroxy-2-methyl-N-[1-(4-phenylmethoxyphenyl)ethyl]propanamide
CID 14156768
ethane;(1S)-1-[4-(phenoxymethyl)phenyl]ethanamine
CID 154659540

Frequently Asked Questions

What is the IUPAC name of 2-[4-(N-methyl-4-phenylmethoxyanilino)phenyl]propan-1-ol?
The IUPAC name of 2-[4-(N-methyl-4-phenylmethoxyanilino)phenyl]propan-1-ol (CID 118954631) is 2-[4-(N-methyl-4-phenylmethoxyanilino)phenyl]propan-1-ol.
What is the SMILES notation for 2-[4-(N-methyl-4-phenylmethoxyanilino)phenyl]propan-1-ol?
The canonical SMILES for 2-[4-(N-methyl-4-phenylmethoxyanilino)phenyl]propan-1-ol is CC(CO)c1ccc(N(C)c2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of 2-[4-(N-methyl-4-phenylmethoxyanilino)phenyl]propan-1-ol?
The InChIKey is NZOOMORVUIPRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2/c1-18(16-25)20-8-10-21(11-9-20)24(2)22-12-14-23(15-13-22)26-17-19-6-4-3-5-7-19/h3-15,18,25H,16-17H2,1-2H3.
What are the key properties of 2-[4-(N-methyl-4-phenylmethoxyanilino)phenyl]propan-1-ol?
2-[4-(N-methyl-4-phenylmethoxyanilino)phenyl]propan-1-ol has a molecular weight of 347.46 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(N-methyl-4-phenylmethoxyanilino)phenyl]propan-1-ol is sourced from PubChem (CID 118954631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).