N-ethyl-1-(2-methoxy-5-methylphenyl)-3-methylpentan-1-amine

C16H27NO — CID 114874388

IUPACN-ethyl-1-(2-methoxy-5-methylphenyl)-3-methylpentan-1-amine
SMILESCCNC(CC(C)CC)c1cc(C)ccc1OC
InChIInChI=1S/C16H27NO/c1-6-12(3)11-15(17-7-2)14-10-13(4)8-9-16(14)18-5/h8-10,12,15,17H,6-7,11H2,1-5H3
InChIKeyPANIYJAXOFFUAU-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.09
Rot. Bonds7

About N-ethyl-1-(2-methoxy-5-methylphenyl)-3-methylpentan-1-amine

N-ethyl-1-(2-methoxy-5-methylphenyl)-3-methylpentan-1-amine (PubChem CID 114874388) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-ethyl-1-(2-methoxy-5-methylphenyl)-3-methylpentan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-methoxy-5-methylphenyl)-3-methylpentan-1-amine
PubChem CID114874388
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-ethyl-1-(2-methoxy-5-methylphenyl)-3-methylpentan-1-amine
SMILESCCNC(CC(C)CC)c1cc(C)ccc1OC
InChIInChI=1S/C16H27NO/c1-6-12(3)11-15(17-7-2)14-10-13(4)8-9-16(14)18-5/h8-10,12,15,17H,6-7,11H2,1-5H3
InChIKeyPANIYJAXOFFUAU-UHFFFAOYSA-N
XLogP4.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(2-methoxy-5-methylphenyl)-4-methylpentan-1-amine
CID 43626298
4-methoxy-1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-1-amine
CID 105144070
N-ethyl-1-(2-methoxy-4-methylphenyl)-3-methylhexan-1-amine
CID 106792257
1-(2-methoxy-5-methylphenyl)-N,3-dimethylbutane-1,4-diamine
CID 116949690
1-(2-ethoxy-5-methylphenyl)-N-ethylpropan-1-amine
CID 62301989
2-(4-chlorophenyl)-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43626354
N-ethyl-2-(4-iodophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 115864174
1-(5-chloro-2-methoxyphenyl)-N-ethyl-3-methylhexan-1-amine
CID 115845507
N-ethyl-3-(2-methoxyethoxy)-1-(2-methoxy-5-methylphenyl)propan-1-amine
CID 102928464
2-cyclopentyl-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 60778145
N-ethyl-2-(2-methoxyethylsulfanyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 64613261
2-cycloheptyl-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 114457630

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methoxy-5-methylphenyl)-3-methylpentan-1-amine?
The IUPAC name of N-ethyl-1-(2-methoxy-5-methylphenyl)-3-methylpentan-1-amine (CID 114874388) is N-ethyl-1-(2-methoxy-5-methylphenyl)-3-methylpentan-1-amine.
What is the SMILES notation for N-ethyl-1-(2-methoxy-5-methylphenyl)-3-methylpentan-1-amine?
The canonical SMILES for N-ethyl-1-(2-methoxy-5-methylphenyl)-3-methylpentan-1-amine is CCNC(CC(C)CC)c1cc(C)ccc1OC.
What is the InChIKey of N-ethyl-1-(2-methoxy-5-methylphenyl)-3-methylpentan-1-amine?
The InChIKey is PANIYJAXOFFUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-6-12(3)11-15(17-7-2)14-10-13(4)8-9-16(14)18-5/h8-10,12,15,17H,6-7,11H2,1-5H3.
What are the key properties of N-ethyl-1-(2-methoxy-5-methylphenyl)-3-methylpentan-1-amine?
N-ethyl-1-(2-methoxy-5-methylphenyl)-3-methylpentan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methoxy-5-methylphenyl)-3-methylpentan-1-amine is sourced from PubChem (CID 114874388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).