2-(4-ethoxy-2-propan-2-ylphenyl)ethanamine

C13H21NO — CID 82054124

IUPAC2-(4-ethoxy-2-propan-2-ylphenyl)ethanamine
SMILESCCOc1ccc(CCN)c(C(C)C)c1
InChIInChI=1S/C13H21NO/c1-4-15-12-6-5-11(7-8-14)13(9-12)10(2)3/h5-6,9-10H,4,7-8,14H2,1-3H3
InChIKeyOQPMQPKYJLXHCL-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.71
Rot. Bonds5

About 2-(4-ethoxy-2-propan-2-ylphenyl)ethanamine

2-(4-ethoxy-2-propan-2-ylphenyl)ethanamine (PubChem CID 82054124) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-(4-ethoxy-2-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-ethoxy-2-propan-2-ylphenyl)ethanamine
PubChem CID82054124
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-(4-ethoxy-2-propan-2-ylphenyl)ethanamine
SMILESCCOc1ccc(CCN)c(C(C)C)c1
InChIInChI=1S/C13H21NO/c1-4-15-12-6-5-11(7-8-14)13(9-12)10(2)3/h5-6,9-10H,4,7-8,14H2,1-3H3
InChIKeyOQPMQPKYJLXHCL-UHFFFAOYSA-N
XLogP2.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-diethoxy-2-propan-2-ylbenzene
CID 129196403
2-(6-ethoxynaphthalen-2-yl)ethanamine
CID 170888283
1-(4-ethoxy-2-fluorophenyl)propan-2-amine
CID 55254145
4-[2-(4-amino-2-propan-2-ylphenyl)ethyl]-3-propan-2-ylaniline
CID 22019812
2-(4-methyl-3-propan-2-ylphenoxy)ethanamine
CID 146289761
2-[4-methoxy-2-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]ethanamine
CID 22683857
4-(5-ethoxy-2-propan-2-ylphenyl)-3-phenylpentan-1-amine
CID 57105695
2-[2-(2-methylpropoxy)-4-propoxyphenyl]ethanamine
CID 60905266
4-ethoxy-2-methoxy-1-propan-2-ylbenzene
CID 176811601
4-(2,5-diethoxyphenyl)pentan-1-amine
CID 83942835
2-[5-chloro-2-(4-ethoxyphenoxy)phenyl]ethanamine
CID 114862746
2-[2-(3-ethoxyphenoxy)phenyl]ethanamine
CID 63804354

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-2-propan-2-ylphenyl)ethanamine?
The IUPAC name of 2-(4-ethoxy-2-propan-2-ylphenyl)ethanamine (CID 82054124) is 2-(4-ethoxy-2-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for 2-(4-ethoxy-2-propan-2-ylphenyl)ethanamine?
The canonical SMILES for 2-(4-ethoxy-2-propan-2-ylphenyl)ethanamine is CCOc1ccc(CCN)c(C(C)C)c1.
What is the InChIKey of 2-(4-ethoxy-2-propan-2-ylphenyl)ethanamine?
The InChIKey is OQPMQPKYJLXHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-15-12-6-5-11(7-8-14)13(9-12)10(2)3/h5-6,9-10H,4,7-8,14H2,1-3H3.
What are the key properties of 2-(4-ethoxy-2-propan-2-ylphenyl)ethanamine?
2-(4-ethoxy-2-propan-2-ylphenyl)ethanamine has a molecular weight of 207.32 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-ethoxy-2-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 82054124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).