1-(4-methoxy-2,3,5-trimethylphenyl)propan-2-amine

C13H21NO — CID 13209710

IUPAC1-(4-methoxy-2,3,5-trimethylphenyl)propan-2-amine
SMILESCOc1c(C)cc(CC(C)N)c(C)c1C
InChIInChI=1S/C13H21NO/c1-8-6-12(7-9(2)14)10(3)11(4)13(8)15-5/h6,9H,7,14H2,1-5H3
InChIKeyQNRBAINXCRGPAS-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.51
Rot. Bonds3

About 1-(4-methoxy-2,3,5-trimethylphenyl)propan-2-amine

1-(4-methoxy-2,3,5-trimethylphenyl)propan-2-amine (PubChem CID 13209710) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(4-methoxy-2,3,5-trimethylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-methoxy-2,3,5-trimethylphenyl)propan-2-amine
PubChem CID13209710
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(4-methoxy-2,3,5-trimethylphenyl)propan-2-amine
SMILESCOc1c(C)cc(CC(C)N)c(C)c1C
InChIInChI=1S/C13H21NO/c1-8-6-12(7-9(2)14)10(3)11(4)13(8)15-5/h6,9H,7,14H2,1-5H3
InChIKeyQNRBAINXCRGPAS-UHFFFAOYSA-N
XLogP2.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,5-dimethoxy-2,3-dimethylphenyl)propan-2-amine
CID 117320597
1-(4-methoxy-2,3,5-trimethylphenyl)propan-2-ol
CID 117114492
1-(2,3,5-trimethyl-4-propoxyphenyl)propan-2-amine;hydrochloride
CID 170894273
1-ethyl-4-methoxy-2,3,5-trimethylbenzene
CID 20747709
O-[(4-methoxy-2,3,5-trimethylphenyl)methyl]hydroxylamine
CID 83698804
methyl 2-[(4-methoxy-2,3,5-trimethylphenyl)methyl]butanoate
CID 116931308
2-(4-methoxy-2,3,5-trimethylphenyl)ethyl 2-aminopropanoate
CID 112514975
2-[(4-methoxy-2,3,5-trimethylphenyl)methyl]butanenitrile
CID 116931539
1-(2-methoxy-3-methylphenyl)propan-2-amine
CID 3029797
N-[2-(4-methoxy-2,3,5-trimethylphenyl)ethyl]propan-2-amine
CID 96661156
2-(4-methoxy-2,3,5-trimethylphenyl)ethanol
CID 82469086
1-(2,3,5-trimethoxy(613C)cyclohexa-1,3,5-trien-1-yl)propan-2-amine
CID 71492453

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,3,5-trimethylphenyl)propan-2-amine?
The IUPAC name of 1-(4-methoxy-2,3,5-trimethylphenyl)propan-2-amine (CID 13209710) is 1-(4-methoxy-2,3,5-trimethylphenyl)propan-2-amine.
What is the SMILES notation for 1-(4-methoxy-2,3,5-trimethylphenyl)propan-2-amine?
The canonical SMILES for 1-(4-methoxy-2,3,5-trimethylphenyl)propan-2-amine is COc1c(C)cc(CC(C)N)c(C)c1C.
What is the InChIKey of 1-(4-methoxy-2,3,5-trimethylphenyl)propan-2-amine?
The InChIKey is QNRBAINXCRGPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-8-6-12(7-9(2)14)10(3)11(4)13(8)15-5/h6,9H,7,14H2,1-5H3.
What are the key properties of 1-(4-methoxy-2,3,5-trimethylphenyl)propan-2-amine?
1-(4-methoxy-2,3,5-trimethylphenyl)propan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,3,5-trimethylphenyl)propan-2-amine is sourced from PubChem (CID 13209710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).