2-(4-ethylphenyl)-4-methoxy-3-methylbutan-2-amine

C14H23NO — CID 115624979

IUPAC2-(4-ethylphenyl)-4-methoxy-3-methylbutan-2-amine
SMILESCCc1ccc(C(C)(N)C(C)COC)cc1
InChIInChI=1S/C14H23NO/c1-5-12-6-8-13(9-7-12)14(3,15)11(2)10-16-4/h6-9,11H,5,10,15H2,1-4H3
InChIKeyFZWXRCDOOGDKMT-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.71
Rot. Bonds5

About 2-(4-ethylphenyl)-4-methoxy-3-methylbutan-2-amine

2-(4-ethylphenyl)-4-methoxy-3-methylbutan-2-amine (PubChem CID 115624979) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-4-methoxy-3-methylbutan-2-amine.

Molecular Properties

Compound Name2-(4-ethylphenyl)-4-methoxy-3-methylbutan-2-amine
PubChem CID115624979
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-(4-ethylphenyl)-4-methoxy-3-methylbutan-2-amine
SMILESCCc1ccc(C(C)(N)C(C)COC)cc1
InChIInChI=1S/C14H23NO/c1-5-12-6-8-13(9-7-12)14(3,15)11(2)10-16-4/h6-9,11H,5,10,15H2,1-4H3
InChIKeyFZWXRCDOOGDKMT-UHFFFAOYSA-N
XLogP2.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-4-methoxy-3-methylbutan-2-amine?
The IUPAC name of 2-(4-ethylphenyl)-4-methoxy-3-methylbutan-2-amine (CID 115624979) is 2-(4-ethylphenyl)-4-methoxy-3-methylbutan-2-amine.
What is the SMILES notation for 2-(4-ethylphenyl)-4-methoxy-3-methylbutan-2-amine?
The canonical SMILES for 2-(4-ethylphenyl)-4-methoxy-3-methylbutan-2-amine is CCc1ccc(C(C)(N)C(C)COC)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-4-methoxy-3-methylbutan-2-amine?
The InChIKey is FZWXRCDOOGDKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-12-6-8-13(9-7-12)14(3,15)11(2)10-16-4/h6-9,11H,5,10,15H2,1-4H3.
What are the key properties of 2-(4-ethylphenyl)-4-methoxy-3-methylbutan-2-amine?
2-(4-ethylphenyl)-4-methoxy-3-methylbutan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-4-methoxy-3-methylbutan-2-amine is sourced from PubChem (CID 115624979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).