N-ethyl-1-(2-methoxy-3,4-dimethylphenyl)-3,4,4-trimethylpentan-1-amine

C19H33NO — CID 103435385

IUPACN-ethyl-1-(2-methoxy-3,4-dimethylphenyl)-3,4,4-trimethylpentan-1-amine
SMILESCCNC(CC(C)C(C)(C)C)c1ccc(C)c(C)c1OC
InChIInChI=1S/C19H33NO/c1-9-20-17(12-14(3)19(5,6)7)16-11-10-13(2)15(4)18(16)21-8/h10-11,14,17,20H,9,12H2,1-8H3
InChIKeyMPZHEEBYAUORID-UHFFFAOYSA-N
MW291.48 g/mol
LogP5.03
Rot. Bonds6

About N-ethyl-1-(2-methoxy-3,4-dimethylphenyl)-3,4,4-trimethylpentan-1-amine

N-ethyl-1-(2-methoxy-3,4-dimethylphenyl)-3,4,4-trimethylpentan-1-amine (PubChem CID 103435385) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is N-ethyl-1-(2-methoxy-3,4-dimethylphenyl)-3,4,4-trimethylpentan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-methoxy-3,4-dimethylphenyl)-3,4,4-trimethylpentan-1-amine
PubChem CID103435385
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC NameN-ethyl-1-(2-methoxy-3,4-dimethylphenyl)-3,4,4-trimethylpentan-1-amine
SMILESCCNC(CC(C)C(C)(C)C)c1ccc(C)c(C)c1OC
InChIInChI=1S/C19H33NO/c1-9-20-17(12-14(3)19(5,6)7)16-11-10-13(2)15(4)18(16)21-8/h10-11,14,17,20H,9,12H2,1-8H3
InChIKeyMPZHEEBYAUORID-UHFFFAOYSA-N
XLogP5.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.48
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-3,3-dimethylbutan-1-amine
CID 103433934
N,N',N'-triethyl-1-(2-methoxy-3,4-dimethylphenyl)propane-1,3-diamine
CID 103433692
1-(4-methoxy-2-methylphenyl)-3,4,4-trimethyl-N-propylpentan-1-amine
CID 63832189
N-[1-(2-methoxy-3,4-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine
CID 103435172
1-(2-methoxy-3,4-dimethylphenyl)-N,3,5,5-tetramethylhexan-1-amine
CID 103435247
2-ethoxy-N-ethyl-1-(2-methoxy-3,4-dimethylphenyl)-3-methylbutan-1-amine
CID 103433925
2-ethoxy-N-ethyl-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutan-1-amine
CID 103433948
1-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine
CID 103433382
N-ethyl-3,4,4-trimethyl-1-(2,3,4-trifluorophenyl)pentan-1-amine
CID 115855108
N-[(4-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]ethanamine
CID 103433284
N-[1-(2-methoxy-3,4-dimethylphenyl)-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine
CID 103433571
1-(2-methoxy-3,4-dimethylphenyl)-2,2-dimethylpropan-1-ol
CID 103432558

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methoxy-3,4-dimethylphenyl)-3,4,4-trimethylpentan-1-amine?
The IUPAC name of N-ethyl-1-(2-methoxy-3,4-dimethylphenyl)-3,4,4-trimethylpentan-1-amine (CID 103435385) is N-ethyl-1-(2-methoxy-3,4-dimethylphenyl)-3,4,4-trimethylpentan-1-amine.
What is the SMILES notation for N-ethyl-1-(2-methoxy-3,4-dimethylphenyl)-3,4,4-trimethylpentan-1-amine?
The canonical SMILES for N-ethyl-1-(2-methoxy-3,4-dimethylphenyl)-3,4,4-trimethylpentan-1-amine is CCNC(CC(C)C(C)(C)C)c1ccc(C)c(C)c1OC.
What is the InChIKey of N-ethyl-1-(2-methoxy-3,4-dimethylphenyl)-3,4,4-trimethylpentan-1-amine?
The InChIKey is MPZHEEBYAUORID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-9-20-17(12-14(3)19(5,6)7)16-11-10-13(2)15(4)18(16)21-8/h10-11,14,17,20H,9,12H2,1-8H3.
What are the key properties of N-ethyl-1-(2-methoxy-3,4-dimethylphenyl)-3,4,4-trimethylpentan-1-amine?
N-ethyl-1-(2-methoxy-3,4-dimethylphenyl)-3,4,4-trimethylpentan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 5.03, 6 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-3,4-dimethylphenyl)-3,4,4-trimethylpentan-1-amine is sourced from PubChem (CID 103435385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).