1-[2-(3-ethylphenoxy)ethoxy]-2-methylpropan-2-amine

C14H23NO2 — CID 82354124

IUPAC1-[2-(3-ethylphenoxy)ethoxy]-2-methylpropan-2-amine
SMILESCCc1cccc(OCCOCC(C)(C)N)c1
InChIInChI=1S/C14H23NO2/c1-4-12-6-5-7-13(10-12)17-9-8-16-11-14(2,3)15/h5-7,10H,4,8-9,11,15H2,1-3H3
InChIKeyUFGKXZURNCVKNV-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.38
Rot. Bonds7

About 1-[2-(3-ethylphenoxy)ethoxy]-2-methylpropan-2-amine

1-[2-(3-ethylphenoxy)ethoxy]-2-methylpropan-2-amine (PubChem CID 82354124) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-[2-(3-ethylphenoxy)ethoxy]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[2-(3-ethylphenoxy)ethoxy]-2-methylpropan-2-amine
PubChem CID82354124
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-[2-(3-ethylphenoxy)ethoxy]-2-methylpropan-2-amine
SMILESCCc1cccc(OCCOCC(C)(C)N)c1
InChIInChI=1S/C14H23NO2/c1-4-12-6-5-7-13(10-12)17-9-8-16-11-14(2,3)15/h5-7,10H,4,8-9,11,15H2,1-3H3
InChIKeyUFGKXZURNCVKNV-UHFFFAOYSA-N
XLogP2.38
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3-ethoxyphenoxy)ethoxy]-2-methylpropan-2-amine
CID 82354145
1-(2-ethoxyethoxy)-3-ethylbenzene
CID 60642871
[4-[2-(3-ethylphenoxy)ethoxy]phenyl]methanamine
CID 43254277
1,3-bis[2-[2-(4-ethylphenoxy)ethoxy]ethoxy]benzene
CID 102046454
ethane;1-ethyl-3-(2-methoxyethoxy)benzene
CID 143725382
1-[2-[3-(aminomethyl)phenoxy]ethoxy]-N,N,2-trimethylpropan-2-amine
CID 79679962
2-amino-6-(3-ethylphenoxy)-2-methylhexan-1-ol
CID 64802185
N-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]-2-methylpropan-2-amine;oxalic acid
CID 2923948
[3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 167192586
1-(3-ethoxypropoxy)-3-ethylbenzene
CID 65178127
diethyl 2-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]propanedioate
CID 2922326
1-ethyl-3-(3-phenoxypropoxy)benzene
CID 64765118

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethylphenoxy)ethoxy]-2-methylpropan-2-amine?
The IUPAC name of 1-[2-(3-ethylphenoxy)ethoxy]-2-methylpropan-2-amine (CID 82354124) is 1-[2-(3-ethylphenoxy)ethoxy]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[2-(3-ethylphenoxy)ethoxy]-2-methylpropan-2-amine?
The canonical SMILES for 1-[2-(3-ethylphenoxy)ethoxy]-2-methylpropan-2-amine is CCc1cccc(OCCOCC(C)(C)N)c1.
What is the InChIKey of 1-[2-(3-ethylphenoxy)ethoxy]-2-methylpropan-2-amine?
The InChIKey is UFGKXZURNCVKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-12-6-5-7-13(10-12)17-9-8-16-11-14(2,3)15/h5-7,10H,4,8-9,11,15H2,1-3H3.
What are the key properties of 1-[2-(3-ethylphenoxy)ethoxy]-2-methylpropan-2-amine?
1-[2-(3-ethylphenoxy)ethoxy]-2-methylpropan-2-amine has a molecular weight of 237.34 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethylphenoxy)ethoxy]-2-methylpropan-2-amine is sourced from PubChem (CID 82354124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).