3-(N-methyl-4-phenoxyanilino)-1-naphthalen-2-ylpropan-1-ol

C26H25NO2 — CID 59570751

IUPAC3-(N-methyl-4-phenoxyanilino)-1-naphthalen-2-ylpropan-1-ol
SMILESCN(CCC(O)c1ccc2ccccc2c1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C26H25NO2/c1-27(23-13-15-25(16-14-23)29-24-9-3-2-4-10-24)18-17-26(28)22-12-11-20-7-5-6-8-21(20)19-22/h2-16,19,26,28H,17-18H2,1H3
InChIKeyNTICRVIDCNKAKR-UHFFFAOYSA-N
MW383.49 g/mol
LogP6.19
Rot. Bonds7

About 3-(N-methyl-4-phenoxyanilino)-1-naphthalen-2-ylpropan-1-ol

3-(N-methyl-4-phenoxyanilino)-1-naphthalen-2-ylpropan-1-ol (PubChem CID 59570751) has the molecular formula C26H25NO2 and a molecular weight of 383.49 g/mol. Its IUPAC name is 3-(N-methyl-4-phenoxyanilino)-1-naphthalen-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-(N-methyl-4-phenoxyanilino)-1-naphthalen-2-ylpropan-1-ol
PubChem CID59570751
Molecular FormulaC26H25NO2
Molecular Weight383.49 g/mol
Exact Mass383.19
IUPAC Name3-(N-methyl-4-phenoxyanilino)-1-naphthalen-2-ylpropan-1-ol
SMILESCN(CCC(O)c1ccc2ccccc2c1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C26H25NO2/c1-27(23-13-15-25(16-14-23)29-24-9-3-2-4-10-24)18-17-26(28)22-12-11-20-7-5-6-8-21(20)19-22/h2-16,19,26,28H,17-18H2,1H3
InChIKeyNTICRVIDCNKAKR-UHFFFAOYSA-N
XLogP6.19
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.49
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-difluorophenyl)-3-(N-methylanilino)propan-1-ol
CID 82074437
1-(3,4-dimethoxyphenyl)-3-(N-methylanilino)propan-1-ol
CID 82073662
1-(3-chlorophenyl)-3-(4-methoxy-N-methylanilino)propan-1-ol
CID 62623125
1-(4-chlorophenyl)-3-(4-methoxy-N-methylanilino)propan-1-ol
CID 62630498
3-(N-methylanilino)-1-(4-methylphenyl)propan-1-ol
CID 62617951
3-(4-chloro-N-propan-2-ylanilino)-1-naphthalen-2-ylpropan-1-ol
CID 59570736
1-(3-amino-4-methoxyphenyl)-3-(N-methylanilino)propan-1-ol
CID 82071747
1-(4-chlorophenyl)-3-(N-methylanilino)propan-1-ol
CID 62643881
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(N-methylanilino)propan-1-ol
CID 82073633
2-(dimethylamino)-1-naphthalen-2-ylethanol
CID 60981028
3-amino-1-naphthalen-2-ylpropan-1-ol
CID 65184856
(1S)-1-naphthalen-2-ylbutane-1,4-diol
CID 163077127

Frequently Asked Questions

What is the IUPAC name of 3-(N-methyl-4-phenoxyanilino)-1-naphthalen-2-ylpropan-1-ol?
The IUPAC name of 3-(N-methyl-4-phenoxyanilino)-1-naphthalen-2-ylpropan-1-ol (CID 59570751) is 3-(N-methyl-4-phenoxyanilino)-1-naphthalen-2-ylpropan-1-ol.
What is the SMILES notation for 3-(N-methyl-4-phenoxyanilino)-1-naphthalen-2-ylpropan-1-ol?
The canonical SMILES for 3-(N-methyl-4-phenoxyanilino)-1-naphthalen-2-ylpropan-1-ol is CN(CCC(O)c1ccc2ccccc2c1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 3-(N-methyl-4-phenoxyanilino)-1-naphthalen-2-ylpropan-1-ol?
The InChIKey is NTICRVIDCNKAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO2/c1-27(23-13-15-25(16-14-23)29-24-9-3-2-4-10-24)18-17-26(28)22-12-11-20-7-5-6-8-21(20)19-22/h2-16,19,26,28H,17-18H2,1H3.
What are the key properties of 3-(N-methyl-4-phenoxyanilino)-1-naphthalen-2-ylpropan-1-ol?
3-(N-methyl-4-phenoxyanilino)-1-naphthalen-2-ylpropan-1-ol has a molecular weight of 383.49 g/mol, XLogP of 6.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-methyl-4-phenoxyanilino)-1-naphthalen-2-ylpropan-1-ol is sourced from PubChem (CID 59570751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).