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

C15H25NO — CID 115782382

IUPACN-ethyl-1-(3-methoxy-4-methylphenyl)-3-methylbutan-1-amine
SMILESCCNC(CC(C)C)c1ccc(C)c(OC)c1
InChIInChI=1S/C15H25NO/c1-6-16-14(9-11(2)3)13-8-7-12(4)15(10-13)17-5/h7-8,10-11,14,16H,6,9H2,1-5H3
InChIKeyBYCYQMYHRWEUDL-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.70
Rot. Bonds6

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

N-ethyl-1-(3-methoxy-4-methylphenyl)-3-methylbutan-1-amine (PubChem CID 115782382) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-ethyl-1-(3-methoxy-4-methylphenyl)-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-methoxy-4-methylphenyl)-3-methylbutan-1-amine
PubChem CID115782382
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-ethyl-1-(3-methoxy-4-methylphenyl)-3-methylbutan-1-amine
SMILESCCNC(CC(C)C)c1ccc(C)c(OC)c1
InChIInChI=1S/C15H25NO/c1-6-16-14(9-11(2)3)13-8-7-12(4)15(10-13)17-5/h7-8,10-11,14,16H,6,9H2,1-5H3
InChIKeyBYCYQMYHRWEUDL-UHFFFAOYSA-N
XLogP3.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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,3-diethyl-1-(3-methoxy-4-methylphenyl)pentan-1-amine
CID 105028177
N-ethyl-1-(4-fluoro-3-methoxyphenyl)-3-methylbutan-1-amine
CID 115782357
N-ethyl-1-(3-methoxy-4-methylphenyl)but-3-yn-1-amine
CID 114977449
N-ethyl-1-(3-fluoro-4-methylphenyl)-3-methylbutan-1-amine
CID 60818718
N-ethyl-1-(3-methoxy-4-methylphenyl)-4-methylpent-4-en-1-amine
CID 105039454
N-ethyl-1-(3-methoxy-4-methylphenyl)-2-(3-methylphenyl)ethanamine
CID 62389756
2-(2-bromophenyl)-N-ethyl-1-(3-methoxy-4-methylphenyl)ethanamine
CID 115787144
1-(3,4-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43200497
N-ethyl-1-(3-methoxy-4-methylphenyl)prop-2-en-1-amine
CID 105000819
[1-(3-methoxy-4-methylphenyl)-4-methylpentyl]hydrazine
CID 105294130
N-[(3-methoxy-4-methylphenyl)-phenylmethyl]ethanamine
CID 43489086
N-ethyl-1-(3-methoxy-4-methylphenyl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025440

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methoxy-4-methylphenyl)-3-methylbutan-1-amine?
The IUPAC name of N-ethyl-1-(3-methoxy-4-methylphenyl)-3-methylbutan-1-amine (CID 115782382) is N-ethyl-1-(3-methoxy-4-methylphenyl)-3-methylbutan-1-amine.
What is the SMILES notation for N-ethyl-1-(3-methoxy-4-methylphenyl)-3-methylbutan-1-amine?
The canonical SMILES for N-ethyl-1-(3-methoxy-4-methylphenyl)-3-methylbutan-1-amine is CCNC(CC(C)C)c1ccc(C)c(OC)c1.
What is the InChIKey of N-ethyl-1-(3-methoxy-4-methylphenyl)-3-methylbutan-1-amine?
The InChIKey is BYCYQMYHRWEUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-6-16-14(9-11(2)3)13-8-7-12(4)15(10-13)17-5/h7-8,10-11,14,16H,6,9H2,1-5H3.
What are the key properties of N-ethyl-1-(3-methoxy-4-methylphenyl)-3-methylbutan-1-amine?
N-ethyl-1-(3-methoxy-4-methylphenyl)-3-methylbutan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methoxy-4-methylphenyl)-3-methylbutan-1-amine is sourced from PubChem (CID 115782382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).