4-(5-ethyl-2-methoxyphenyl)-N-methylbutan-2-amine

C14H23NO — CID 112517862

IUPAC4-(5-ethyl-2-methoxyphenyl)-N-methylbutan-2-amine
SMILESCCc1ccc(OC)c(CCC(C)NC)c1
InChIInChI=1S/C14H23NO/c1-5-12-7-9-14(16-4)13(10-12)8-6-11(2)15-3/h7,9-11,15H,5-6,8H2,1-4H3
InChIKeyADPRMCBYLDIYIW-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.80
Rot. Bonds6

About 4-(5-ethyl-2-methoxyphenyl)-N-methylbutan-2-amine

4-(5-ethyl-2-methoxyphenyl)-N-methylbutan-2-amine (PubChem CID 112517862) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-(5-ethyl-2-methoxyphenyl)-N-methylbutan-2-amine.

Molecular Properties

Compound Name4-(5-ethyl-2-methoxyphenyl)-N-methylbutan-2-amine
PubChem CID112517862
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-(5-ethyl-2-methoxyphenyl)-N-methylbutan-2-amine
SMILESCCc1ccc(OC)c(CCC(C)NC)c1
InChIInChI=1S/C14H23NO/c1-5-12-7-9-14(16-4)13(10-12)8-6-11(2)15-3/h7,9-11,15H,5-6,8H2,1-4H3
InChIKeyADPRMCBYLDIYIW-UHFFFAOYSA-N
XLogP2.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-ethyl-2-methoxyphenyl)-2-methylbutan-1-amine
CID 116924943
N-ethyl-N'-[2-(5-ethyl-2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115206001
6-(5-ethyl-2-methoxyphenyl)-2-methylhexan-3-amine
CID 83942665
2-(bromomethyl)-4-ethyl-1-methoxybenzene
CID 116932379
5-(5-chloro-2-methoxyphenyl)-N-methylpentan-2-amine
CID 64503076
N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-2,2,2-trifluoroethanamine
CID 115258035
3-(5-ethyl-2-methoxyphenyl)propan-1-ol
CID 94680036
N'-[(5-ethyl-2-methoxyphenyl)methyl]methanediamine
CID 115225717
1-(5-ethyl-2-methoxyphenyl)-N'-methylmethanediamine
CID 116939309
2-N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-2-N-methylpropane-1,2-diamine
CID 117040130
4-[2-(5-ethyl-2-methoxyphenyl)ethylamino]butan-2-one
CID 115235918
3-(5-ethyl-2-methoxyphenyl)propanoic acid
CID 82126594

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-2-methoxyphenyl)-N-methylbutan-2-amine?
The IUPAC name of 4-(5-ethyl-2-methoxyphenyl)-N-methylbutan-2-amine (CID 112517862) is 4-(5-ethyl-2-methoxyphenyl)-N-methylbutan-2-amine.
What is the SMILES notation for 4-(5-ethyl-2-methoxyphenyl)-N-methylbutan-2-amine?
The canonical SMILES for 4-(5-ethyl-2-methoxyphenyl)-N-methylbutan-2-amine is CCc1ccc(OC)c(CCC(C)NC)c1.
What is the InChIKey of 4-(5-ethyl-2-methoxyphenyl)-N-methylbutan-2-amine?
The InChIKey is ADPRMCBYLDIYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-12-7-9-14(16-4)13(10-12)8-6-11(2)15-3/h7,9-11,15H,5-6,8H2,1-4H3.
What are the key properties of 4-(5-ethyl-2-methoxyphenyl)-N-methylbutan-2-amine?
4-(5-ethyl-2-methoxyphenyl)-N-methylbutan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-2-methoxyphenyl)-N-methylbutan-2-amine is sourced from PubChem (CID 112517862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).