2-(4-ethylphenyl)-N-methyl-2-propan-2-yloxyethanamine

C14H23NO — CID 53276085

IUPAC2-(4-ethylphenyl)-N-methyl-2-propan-2-yloxyethanamine
SMILESCCc1ccc(C(CNC)OC(C)C)cc1
InChIInChI=1S/C14H23NO/c1-5-12-6-8-13(9-7-12)14(10-15-4)16-11(2)3/h6-9,11,14-15H,5,10H2,1-4H3
InChIKeyLHDLYCLPSRNDBB-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.93
Rot. Bonds6

About 2-(4-ethylphenyl)-N-methyl-2-propan-2-yloxyethanamine

2-(4-ethylphenyl)-N-methyl-2-propan-2-yloxyethanamine (PubChem CID 53276085) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-N-methyl-2-propan-2-yloxyethanamine.

Molecular Properties

Compound Name2-(4-ethylphenyl)-N-methyl-2-propan-2-yloxyethanamine
PubChem CID53276085
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-(4-ethylphenyl)-N-methyl-2-propan-2-yloxyethanamine
SMILESCCc1ccc(C(CNC)OC(C)C)cc1
InChIInChI=1S/C14H23NO/c1-5-12-6-8-13(9-7-12)14(10-15-4)16-11(2)3/h6-9,11,14-15H,5,10H2,1-4H3
InChIKeyLHDLYCLPSRNDBB-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-N-methyl-2-propan-2-yloxyethanamine?
The IUPAC name of 2-(4-ethylphenyl)-N-methyl-2-propan-2-yloxyethanamine (CID 53276085) is 2-(4-ethylphenyl)-N-methyl-2-propan-2-yloxyethanamine.
What is the SMILES notation for 2-(4-ethylphenyl)-N-methyl-2-propan-2-yloxyethanamine?
The canonical SMILES for 2-(4-ethylphenyl)-N-methyl-2-propan-2-yloxyethanamine is CCc1ccc(C(CNC)OC(C)C)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-N-methyl-2-propan-2-yloxyethanamine?
The InChIKey is LHDLYCLPSRNDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-12-6-8-13(9-7-12)14(10-15-4)16-11(2)3/h6-9,11,14-15H,5,10H2,1-4H3.
What are the key properties of 2-(4-ethylphenyl)-N-methyl-2-propan-2-yloxyethanamine?
2-(4-ethylphenyl)-N-methyl-2-propan-2-yloxyethanamine has a molecular weight of 221.34 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-N-methyl-2-propan-2-yloxyethanamine is sourced from PubChem (CID 53276085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).