N-ethyl-1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-amine

C15H25NO — CID 43490085

IUPACN-ethyl-1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-amine
SMILESCCNC(c1ccc(OC)cc1C)C(C)CC
InChIInChI=1S/C15H25NO/c1-6-11(3)15(16-7-2)14-9-8-13(17-5)10-12(14)4/h8-11,15-16H,6-7H2,1-5H3
InChIKeyKROXGHNNAKSRSQ-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.70
Rot. Bonds6

About N-ethyl-1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-amine

N-ethyl-1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-amine (PubChem CID 43490085) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-ethyl-1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-amine
PubChem CID43490085
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-ethyl-1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-amine
SMILESCCNC(c1ccc(OC)cc1C)C(C)CC
InChIInChI=1S/C15H25NO/c1-6-11(3)15(16-7-2)14-9-8-13(17-5)10-12(14)4/h8-11,15-16H,6-7H2,1-5H3
InChIKeyKROXGHNNAKSRSQ-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-ethyl-1-(2-fluoro-4-methoxyphenyl)-2-methylbutan-1-amine
CID 43561454
N-ethyl-1-(4-methoxy-2-methylphenyl)-2-methylsulfonylpropan-1-amine
CID 104518588
2-cyclopropyl-N-ethyl-1-(4-methoxy-2-methylphenyl)propan-1-amine
CID 83153801
2-ethoxy-N-ethyl-1-(4-methoxy-2-methylphenyl)-3-methylbutan-1-amine
CID 116721568
1-(4-methoxy-2-methylphenyl)-2-methyl-N-propylpentan-1-amine
CID 43495595
1-(2-chloro-4-methoxyphenyl)-N-ethyl-2-methylpentan-1-amine
CID 43562095
1-(4-methoxy-2-methylphenyl)-N,2-dimethylpropan-1-amine
CID 43482752
N-ethyl-1-(4-methoxy-2-methylphenyl)-2-(2-methylpropylsulfanyl)ethanamine
CID 65318131
1-(4-methoxy-2-methylphenyl)-3-methylpentan-1-amine
CID 114874188
1-(4-methoxy-2-methylphenyl)-N,2-dipropylpentan-1-amine
CID 82984646
1-(1-bromopropyl)-4-methoxy-2-methylbenzene
CID 61097886
1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 13147116

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-amine?
The IUPAC name of N-ethyl-1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-amine (CID 43490085) is N-ethyl-1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-amine.
What is the SMILES notation for N-ethyl-1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-amine?
The canonical SMILES for N-ethyl-1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-amine is CCNC(c1ccc(OC)cc1C)C(C)CC.
What is the InChIKey of N-ethyl-1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-amine?
The InChIKey is KROXGHNNAKSRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-6-11(3)15(16-7-2)14-9-8-13(17-5)10-12(14)4/h8-11,15-16H,6-7H2,1-5H3.
What are the key properties of N-ethyl-1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-amine?
N-ethyl-1-(4-methoxy-2-methylphenyl)-2-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-(4-methoxy-2-methylphenyl)-2-methylbutan-1-amine is sourced from PubChem (CID 43490085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).