4-(4-ethylphenoxy)-2-methylbutan-2-amine

C13H21NO — CID 28917779

IUPAC4-(4-ethylphenoxy)-2-methylbutan-2-amine
SMILESCCc1ccc(OCCC(C)(C)N)cc1
InChIInChI=1S/C13H21NO/c1-4-11-5-7-12(8-6-11)15-10-9-13(2,3)14/h5-8H,4,9-10,14H2,1-3H3
InChIKeyWQEOMNMMWXDBHS-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.76
Rot. Bonds5

About 4-(4-ethylphenoxy)-2-methylbutan-2-amine

4-(4-ethylphenoxy)-2-methylbutan-2-amine (PubChem CID 28917779) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-(4-ethylphenoxy)-2-methylbutan-2-amine.

Molecular Properties

Compound Name4-(4-ethylphenoxy)-2-methylbutan-2-amine
PubChem CID28917779
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4-(4-ethylphenoxy)-2-methylbutan-2-amine
SMILESCCc1ccc(OCCC(C)(C)N)cc1
InChIInChI=1S/C13H21NO/c1-4-11-5-7-12(8-6-11)15-10-9-13(2,3)14/h5-8H,4,9-10,14H2,1-3H3
InChIKeyWQEOMNMMWXDBHS-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-(4-propoxyphenyl)butan-2-amine
CID 98014307
N-[2-(4-ethylphenoxy)ethyl]-3,3-dimethylbutan-1-amine
CID 62572737
2-methyl-4-naphthalen-2-yloxybutan-2-amine
CID 10561404
5-(4-ethylphenoxy)-2,2-dimethylpentanoic acid
CID 22891666
2-[2-[2-(4-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]propan-2-amine
CID 82191090
1-ethyl-4-[4-(4,4,4-trifluorobutoxy)phenyl]benzene
CID 18335308
ethane;(4-ethylphenoxy)methanamine
CID 145400359
1-ethyl-4-(3-methylbutoxy)benzene
CID 60722998
3-methyl-1-N-(4-propoxyphenyl)butane-1,3-diamine
CID 112753914
1-ethyl-4-[3-(4-pentylcyclohexyl)propoxy]benzene
CID 19739084
1-ethyl-4-(2-propan-2-yloxyethoxy)benzene
CID 60643723
1-(bromomethyl)-4-(3,3-dimethylbutoxy)benzene
CID 63534329

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenoxy)-2-methylbutan-2-amine?
The IUPAC name of 4-(4-ethylphenoxy)-2-methylbutan-2-amine (CID 28917779) is 4-(4-ethylphenoxy)-2-methylbutan-2-amine.
What is the SMILES notation for 4-(4-ethylphenoxy)-2-methylbutan-2-amine?
The canonical SMILES for 4-(4-ethylphenoxy)-2-methylbutan-2-amine is CCc1ccc(OCCC(C)(C)N)cc1.
What is the InChIKey of 4-(4-ethylphenoxy)-2-methylbutan-2-amine?
The InChIKey is WQEOMNMMWXDBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-11-5-7-12(8-6-11)15-10-9-13(2,3)14/h5-8H,4,9-10,14H2,1-3H3.
What are the key properties of 4-(4-ethylphenoxy)-2-methylbutan-2-amine?
4-(4-ethylphenoxy)-2-methylbutan-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenoxy)-2-methylbutan-2-amine is sourced from PubChem (CID 28917779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).