N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]propan-2-amine

C15H25NO — CID 96661156

IUPACN-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]propan-2-amine
SMILESCOc1c(C)cc(CCNC(C)C)c(C)c1C
InChIInChI=1S/C15H25NO/c1-10(2)16-8-7-14-9-11(3)15(17-6)13(5)12(14)4/h9-10,16H,7-8H2,1-6H3
InChIKeyBJMCOABMXFEYEU-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.16
Rot. Bonds5

About N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]propan-2-amine

N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]propan-2-amine (PubChem CID 96661156) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]propan-2-amine
PubChem CID96661156
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]propan-2-amine
SMILESCOc1c(C)cc(CCNC(C)C)c(C)c1C
InChIInChI=1S/C15H25NO/c1-10(2)16-8-7-14-9-11(3)15(17-6)13(5)12(14)4/h9-10,16H,7-8H2,1-6H3
InChIKeyBJMCOABMXFEYEU-UHFFFAOYSA-N
XLogP3.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methoxy-2,3,5-trimethylphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 115206463
1-[2-(4-methoxy-2,3,5-trimethylphenyl)ethylamino]propan-2-ol
CID 112513447
2-(4-methoxy-2,3,5-trimethylphenyl)ethanol
CID 82469086
N'-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-N-methylpropane-1,3-diamine
CID 115198003
3-N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]propane-1,2,3-triamine
CID 115119991
N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]propan-2-amine
CID 98015186
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
1-(4-methoxy-2,3,5-trimethylphenyl)propan-2-amine
CID 13209710
1-ethyl-4-methoxy-2,3,5-trimethylbenzene
CID 20747709
2-(4-methoxy-2,3,5-trimethylphenyl)ethyl 2-aminopropanoate
CID 112514975
N-(2-chloroethyl)-2-(4-methoxy-2,3,5-trimethylphenyl)-N-methylethanamine
CID 115215197

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]propan-2-amine (CID 96661156) is N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]propan-2-amine is COc1c(C)cc(CCNC(C)C)c(C)c1C.
What is the InChIKey of N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]propan-2-amine?
The InChIKey is BJMCOABMXFEYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-10(2)16-8-7-14-9-11(3)15(17-6)13(5)12(14)4/h9-10,16H,7-8H2,1-6H3.
What are the key properties of N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]propan-2-amine?
N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]propan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]propan-2-amine is sourced from PubChem (CID 96661156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).