N-ethyl-2-methoxy-3-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine

C17H29NO — CID 116720357

IUPACN-ethyl-2-methoxy-3-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine
SMILESCCNC(c1cc(C)c(C)cc1C)C(OC)C(C)C
InChIInChI=1S/C17H29NO/c1-8-18-16(17(19-7)11(2)3)15-10-13(5)12(4)9-14(15)6/h9-11,16-18H,8H2,1-7H3
InChIKeyXQYQFKMXQHFZGD-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.93
Rot. Bonds6

About N-ethyl-2-methoxy-3-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine

N-ethyl-2-methoxy-3-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine (PubChem CID 116720357) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is N-ethyl-2-methoxy-3-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methoxy-3-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine
PubChem CID116720357
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC NameN-ethyl-2-methoxy-3-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine
SMILESCCNC(c1cc(C)c(C)cc1C)C(OC)C(C)C
InChIInChI=1S/C17H29NO/c1-8-18-16(17(19-7)11(2)3)15-10-13(5)12(4)9-14(15)6/h9-11,16-18H,8H2,1-7H3
InChIKeyXQYQFKMXQHFZGD-UHFFFAOYSA-N
XLogP3.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethoxyphenyl)-N-ethyl-2-methoxy-3-methylbutan-1-amine
CID 116720230
1-(3,4-dimethoxyphenyl)-N-ethyl-2-methoxy-3-methylbutan-1-amine
CID 116720295
2-ethoxy-N-ethyl-1-(4-methoxy-2-methylphenyl)-3-methylbutan-1-amine
CID 116721568
N-ethyl-2-methoxy-3-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine
CID 116720263
1-(3,4-dimethylphenyl)-2-methoxy-3-methyl-N-propylbutan-1-amine
CID 116720687
N-ethyl-1-(4-methoxy-2,5-dimethylphenyl)-2-propylpentan-1-amine
CID 105032924
2-methoxy-3,3-dimethyl-N-propyl-1-(2,4,5-trimethylphenyl)butan-1-amine
CID 116725058
N-ethyl-2-methoxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-amine
CID 116720426
2-methoxy-1-(2-methoxyphenyl)-3-methyl-N-propylbutan-1-amine
CID 116720529
1-(2-chloro-4,5-dimethylphenyl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 113319465
2,2-dimethoxy-N-methyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 79492540
2-ethoxy-N-ethyl-1-(2-methoxy-3,4-dimethylphenyl)-3-methylbutan-1-amine
CID 103433925

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-3-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine?
The IUPAC name of N-ethyl-2-methoxy-3-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine (CID 116720357) is N-ethyl-2-methoxy-3-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine.
What is the SMILES notation for N-ethyl-2-methoxy-3-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine?
The canonical SMILES for N-ethyl-2-methoxy-3-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine is CCNC(c1cc(C)c(C)cc1C)C(OC)C(C)C.
What is the InChIKey of N-ethyl-2-methoxy-3-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine?
The InChIKey is XQYQFKMXQHFZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-8-18-16(17(19-7)11(2)3)15-10-13(5)12(4)9-14(15)6/h9-11,16-18H,8H2,1-7H3.
What are the key properties of N-ethyl-2-methoxy-3-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine?
N-ethyl-2-methoxy-3-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine has a molecular weight of 263.42 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methoxy-3-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine is sourced from PubChem (CID 116720357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).