N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylbutan-2-amine

C15H25NO — CID 43773913

IUPACN-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylbutan-2-amine
SMILESCOc1cc(C)ccc1C(C)NC(C)C(C)C
InChIInChI=1S/C15H25NO/c1-10(2)12(4)16-13(5)14-8-7-11(3)9-15(14)17-6/h7-10,12-13,16H,1-6H3
InChIKeyWZTAMOVGCCPXOY-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.70
Rot. Bonds5

About N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylbutan-2-amine

N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylbutan-2-amine (PubChem CID 43773913) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylbutan-2-amine
PubChem CID43773913
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylbutan-2-amine
SMILESCOc1cc(C)ccc1C(C)NC(C)C(C)C
InChIInChI=1S/C15H25NO/c1-10(2)12(4)16-13(5)14-8-7-11(3)9-15(14)17-6/h7-10,12-13,16H,1-6H3
InChIKeyWZTAMOVGCCPXOY-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904386
1-methoxy-N-[1-(2-methoxy-4-methylphenyl)ethyl]propan-2-amine
CID 43758410
N-[1-(2-methoxy-4-methylphenyl)ethyl]-1-methylsulfanylpropan-2-amine
CID 113261809
1-(2-methoxy-4-methylphenyl)-N-(1-thiophen-2-ylethyl)ethanamine
CID 43770306
2-bromo-N-[1-(2-methoxy-4-methylphenyl)ethyl]-4-methylaniline
CID 43757713
2-[1-(2-methoxy-4-methylphenyl)ethylamino]-N,N-dimethylpropanamide
CID 43778162
1-(2-methoxy-4-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 81401623
N-[1-(2-methoxy-4-methylphenyl)ethyl]hex-1-yn-3-amine
CID 106227116
1-(3-fluorophenyl)-N-[1-(2-methoxy-4-methylphenyl)ethyl]ethanamine
CID 43770232
2-methoxy-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline
CID 43757835
N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylaniline
CID 43755641
N-[1-(2-methoxy-4-methylphenyl)ethyl]-4-methylsulfinylbutan-2-amine
CID 115893267

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylbutan-2-amine?
The IUPAC name of N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylbutan-2-amine (CID 43773913) is N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylbutan-2-amine.
What is the SMILES notation for N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylbutan-2-amine?
The canonical SMILES for N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylbutan-2-amine is COc1cc(C)ccc1C(C)NC(C)C(C)C.
What is the InChIKey of N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylbutan-2-amine?
The InChIKey is WZTAMOVGCCPXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-10(2)12(4)16-13(5)14-8-7-11(3)9-15(14)17-6/h7-10,12-13,16H,1-6H3.
What are the key properties of N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylbutan-2-amine?
N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylbutan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylbutan-2-amine is sourced from PubChem (CID 43773913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).