1-[2-(4-methoxy-2,3,5-trimethylphenyl)ethylamino]propan-2-ol

C15H25NO2 — CID 112513447

IUPAC1-[2-(4-methoxy-2,3,5-trimethylphenyl)ethylamino]propan-2-ol
SMILESCOc1c(C)cc(CCNCC(C)O)c(C)c1C
InChIInChI=1S/C15H25NO2/c1-10-8-14(6-7-16-9-11(2)17)12(3)13(4)15(10)18-5/h8,11,16-17H,6-7,9H2,1-5H3
InChIKeyMHLBDJAMPARODD-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.13
Rot. Bonds6

About 1-[2-(4-methoxy-2,3,5-trimethylphenyl)ethylamino]propan-2-ol

1-[2-(4-methoxy-2,3,5-trimethylphenyl)ethylamino]propan-2-ol (PubChem CID 112513447) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[2-(4-methoxy-2,3,5-trimethylphenyl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-[2-(4-methoxy-2,3,5-trimethylphenyl)ethylamino]propan-2-ol
PubChem CID112513447
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-[2-(4-methoxy-2,3,5-trimethylphenyl)ethylamino]propan-2-ol
SMILESCOc1c(C)cc(CCNCC(C)O)c(C)c1C
InChIInChI=1S/C15H25NO2/c1-10-8-14(6-7-16-9-11(2)17)12(3)13(4)15(10)18-5/h8,11,16-17H,6-7,9H2,1-5H3
InChIKeyMHLBDJAMPARODD-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
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

3-N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]propane-1,2,3-triamine
CID 115119991
N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]propan-2-amine
CID 96661156
4-[2-(4-methoxy-2,3,5-trimethylphenyl)ethylamino]butan-1-ol
CID 115217788
1-(4-methoxy-2,3,5-trimethylphenyl)propan-2-ol
CID 117114492
N'-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-N-methylpropane-1,3-diamine
CID 115198003
N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 115206463
2-(4-methoxy-2,3,5-trimethylphenyl)ethanol
CID 82469086
N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-2-methylbutane-1,4-diamine
CID 115202568
2-(4-methoxy-2,3,5-trimethylphenyl)ethyl 2-aminopropanoate
CID 112514975
1-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethylamino]propan-2-ol
CID 112513727
3-[2-(2-methoxy-3,5-dimethylphenyl)ethylamino]-2-methylpropanoic acid
CID 115219557
1-[2-(2-chloro-4-methoxyphenyl)ethylamino]propan-2-ol
CID 112513366

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxy-2,3,5-trimethylphenyl)ethylamino]propan-2-ol?
The IUPAC name of 1-[2-(4-methoxy-2,3,5-trimethylphenyl)ethylamino]propan-2-ol (CID 112513447) is 1-[2-(4-methoxy-2,3,5-trimethylphenyl)ethylamino]propan-2-ol.
What is the SMILES notation for 1-[2-(4-methoxy-2,3,5-trimethylphenyl)ethylamino]propan-2-ol?
The canonical SMILES for 1-[2-(4-methoxy-2,3,5-trimethylphenyl)ethylamino]propan-2-ol is COc1c(C)cc(CCNCC(C)O)c(C)c1C.
What is the InChIKey of 1-[2-(4-methoxy-2,3,5-trimethylphenyl)ethylamino]propan-2-ol?
The InChIKey is MHLBDJAMPARODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-10-8-14(6-7-16-9-11(2)17)12(3)13(4)15(10)18-5/h8,11,16-17H,6-7,9H2,1-5H3.
What are the key properties of 1-[2-(4-methoxy-2,3,5-trimethylphenyl)ethylamino]propan-2-ol?
1-[2-(4-methoxy-2,3,5-trimethylphenyl)ethylamino]propan-2-ol has a molecular weight of 251.37 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxy-2,3,5-trimethylphenyl)ethylamino]propan-2-ol is sourced from PubChem (CID 112513447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).