1-(4-methoxy-3,5-dimethylphenyl)-3-(propan-2-ylamino)propan-1-ol

C15H25NO2 — CID 112518901

IUPAC1-(4-methoxy-3,5-dimethylphenyl)-3-(propan-2-ylamino)propan-1-ol
SMILESCOc1c(C)cc(C(O)CCNC(C)C)cc1C
InChIInChI=1S/C15H25NO2/c1-10(2)16-7-6-14(17)13-8-11(3)15(18-5)12(4)9-13/h8-10,14,16-17H,6-7H2,1-5H3
InChIKeyRPHYYLKVNQLUNN-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.73
Rot. Bonds6

About 1-(4-methoxy-3,5-dimethylphenyl)-3-(propan-2-ylamino)propan-1-ol

1-(4-methoxy-3,5-dimethylphenyl)-3-(propan-2-ylamino)propan-1-ol (PubChem CID 112518901) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(4-methoxy-3,5-dimethylphenyl)-3-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name1-(4-methoxy-3,5-dimethylphenyl)-3-(propan-2-ylamino)propan-1-ol
PubChem CID112518901
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-(4-methoxy-3,5-dimethylphenyl)-3-(propan-2-ylamino)propan-1-ol
SMILESCOc1c(C)cc(C(O)CCNC(C)C)cc1C
InChIInChI=1S/C15H25NO2/c1-10(2)16-7-6-14(17)13-8-11(3)15(18-5)12(4)9-13/h8-10,14,16-17H,6-7H2,1-5H3
InChIKeyRPHYYLKVNQLUNN-UHFFFAOYSA-N
XLogP2.73
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-3-amino-1-(4-methoxy-3,5-dimethylphenyl)propan-1-ol
CID 96774274
(1S)-1-(4-methoxy-3,5-dimethylphenyl)butan-1-ol
CID 97293367
1-(4-methoxy-3,5-dimethylphenyl)-2-methylsulfanylethanol
CID 116830247
2-(propan-2-ylamino)-1-(3,4,5-trimethoxyphenyl)ethanol
CID 62773539
N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]propan-2-amine
CID 96661156
2-amino-1-(4-methoxy-3,5-dimethylphenyl)propan-1-ol
CID 82395059
2-(4-methoxy-3,5-dimethylphenyl)-N-methylpropan-1-amine
CID 83833912
4-[1-hydroxy-2-(propan-2-ylamino)ethyl]-2,6-dimethylphenol
CID 110177993
N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 115206463
1-(4-methoxy-3,5-dimethylphenyl)-N,N'-dimethylpropane-1,3-diamine
CID 116948631
1-bromo-1-(4-methoxy-3,5-dimethylphenyl)-N-methylmethanamine
CID 116961995
(3,5-dimethylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanol
CID 83068712

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3,5-dimethylphenyl)-3-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 1-(4-methoxy-3,5-dimethylphenyl)-3-(propan-2-ylamino)propan-1-ol (CID 112518901) is 1-(4-methoxy-3,5-dimethylphenyl)-3-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 1-(4-methoxy-3,5-dimethylphenyl)-3-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 1-(4-methoxy-3,5-dimethylphenyl)-3-(propan-2-ylamino)propan-1-ol is COc1c(C)cc(C(O)CCNC(C)C)cc1C.
What is the InChIKey of 1-(4-methoxy-3,5-dimethylphenyl)-3-(propan-2-ylamino)propan-1-ol?
The InChIKey is RPHYYLKVNQLUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-10(2)16-7-6-14(17)13-8-11(3)15(18-5)12(4)9-13/h8-10,14,16-17H,6-7H2,1-5H3.
What are the key properties of 1-(4-methoxy-3,5-dimethylphenyl)-3-(propan-2-ylamino)propan-1-ol?
1-(4-methoxy-3,5-dimethylphenyl)-3-(propan-2-ylamino)propan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3,5-dimethylphenyl)-3-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 112518901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).