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

C16H27NO — CID 105044614

IUPAC1-(3,4-dimethylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine
SMILESCCNC(c1ccc(C)c(C)c1)C(C)CCOC
InChIInChI=1S/C16H27NO/c1-6-17-16(13(3)9-10-18-5)15-8-7-12(2)14(4)11-15/h7-8,11,13,16-17H,6,9-10H2,1-5H3
InChIKeyDHTQCJPUSKTWOB-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.63
Rot. Bonds7

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

1-(3,4-dimethylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine (PubChem CID 105044614) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine
PubChem CID105044614
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-(3,4-dimethylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine
SMILESCCNC(c1ccc(C)c(C)c1)C(C)CCOC
InChIInChI=1S/C16H27NO/c1-6-17-16(13(3)9-10-18-5)15-8-7-12(2)14(4)11-15/h7-8,11,13,16-17H,6,9-10H2,1-5H3
InChIKeyDHTQCJPUSKTWOB-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-methylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine
CID 105044410
N-ethyl-1-(3-fluoro-4-methoxyphenyl)-4-methoxy-2-methylbutan-1-amine
CID 105044550
1-(4-bromo-3-chlorophenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine
CID 105044284
1-(4-tert-butylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine
CID 105044758
N-ethyl-4-methoxy-2-methyl-1-(6-methyl-3-pyridinyl)butan-1-amine
CID 105185057
N-ethyl-4-methoxy-2-methyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine
CID 105044213
1-(3-bromo-4-methylphenyl)-N-ethyl-2-methylbutan-1-amine
CID 105017369
N-ethyl-4-(2-methoxyethoxy)-2-methyl-1-phenylbutan-1-amine
CID 104845517
4-methoxy-2-methyl-N-propyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine
CID 105044369
N-[1-(3,4-dimethylphenyl)ethyl]-5-methoxypentan-1-amine
CID 103779839
2-cyclohexyl-1-(3,4-dimethylphenyl)-N-ethyl-2-methoxyethanamine
CID 116771781
1-(4-bromo-3,5-dimethylphenyl)-N-ethyl-2-methylpentan-1-amine
CID 114013851

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine?
The IUPAC name of 1-(3,4-dimethylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine (CID 105044614) is 1-(3,4-dimethylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine is CCNC(c1ccc(C)c(C)c1)C(C)CCOC.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine?
The InChIKey is DHTQCJPUSKTWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-6-17-16(13(3)9-10-18-5)15-8-7-12(2)14(4)11-15/h7-8,11,13,16-17H,6,9-10H2,1-5H3.
What are the key properties of 1-(3,4-dimethylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine?
1-(3,4-dimethylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine is sourced from PubChem (CID 105044614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).