2-(4-ethoxyphenoxy)-3-methylbutan-1-amine

C13H21NO2 — CID 62451860

IUPAC2-(4-ethoxyphenoxy)-3-methylbutan-1-amine
SMILESCCOc1ccc(OC(CN)C(C)C)cc1
InChIInChI=1S/C13H21NO2/c1-4-15-11-5-7-12(8-6-11)16-13(9-14)10(2)3/h5-8,10,13H,4,9,14H2,1-3H3
InChIKeyJIFXBQPBIDVPOD-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.45
Rot. Bonds6

About 2-(4-ethoxyphenoxy)-3-methylbutan-1-amine

2-(4-ethoxyphenoxy)-3-methylbutan-1-amine (PubChem CID 62451860) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-(4-ethoxyphenoxy)-3-methylbutan-1-amine
PubChem CID62451860
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-(4-ethoxyphenoxy)-3-methylbutan-1-amine
SMILESCCOc1ccc(OC(CN)C(C)C)cc1
InChIInChI=1S/C13H21NO2/c1-4-15-11-5-7-12(8-6-11)16-13(9-14)10(2)3/h5-8,10,13H,4,9,14H2,1-3H3
InChIKeyJIFXBQPBIDVPOD-UHFFFAOYSA-N
XLogP2.45
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-(4-propylphenoxy)butan-1-amine
CID 62548251
N-[2-(4-ethoxyphenoxy)-3-methylbutyl]cyclopropanamine
CID 62449679
2-[4-[(4-ethoxyphenoxy)methyl]phenyl]propan-1-amine
CID 105350465
2-(3,5-difluorophenoxy)-3-methylbutan-1-amine
CID 62784520
1-(4-ethoxyphenyl)-2-methylbutan-1-amine
CID 12771706
1-amino-4-(4-ethoxyphenoxy)-2-methylpentan-2-ol
CID 64815245
1-(4-ethoxyphenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 102912603
2-(4-ethoxyphenyl)pentan-1-amine
CID 112507782
2-(4-ethoxyphenoxy)propanoyl chloride
CID 82041126
[4-[(4-ethoxyphenoxy)methyl]phenyl]methanamine
CID 16787344
4-amino-1-(4-ethoxyphenyl)-3-methylbutan-1-one
CID 116596464
N-butan-2-yl-1-(4-ethoxyphenyl)ethane-1,2-diamine
CID 65384964

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenoxy)-3-methylbutan-1-amine?
The IUPAC name of 2-(4-ethoxyphenoxy)-3-methylbutan-1-amine (CID 62451860) is 2-(4-ethoxyphenoxy)-3-methylbutan-1-amine.
What is the SMILES notation for 2-(4-ethoxyphenoxy)-3-methylbutan-1-amine?
The canonical SMILES for 2-(4-ethoxyphenoxy)-3-methylbutan-1-amine is CCOc1ccc(OC(CN)C(C)C)cc1.
What is the InChIKey of 2-(4-ethoxyphenoxy)-3-methylbutan-1-amine?
The InChIKey is JIFXBQPBIDVPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-15-11-5-7-12(8-6-11)16-13(9-14)10(2)3/h5-8,10,13H,4,9,14H2,1-3H3.
What are the key properties of 2-(4-ethoxyphenoxy)-3-methylbutan-1-amine?
2-(4-ethoxyphenoxy)-3-methylbutan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenoxy)-3-methylbutan-1-amine is sourced from PubChem (CID 62451860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).