2-(2-butan-2-ylphenoxy)-N-ethylpropan-1-amine

C15H25NO — CID 54798619

IUPAC2-(2-butan-2-ylphenoxy)-N-ethylpropan-1-amine
SMILESCCNCC(C)Oc1ccccc1C(C)CC
InChIInChI=1S/C15H25NO/c1-5-12(3)14-9-7-8-10-15(14)17-13(4)11-16-6-2/h7-10,12-13,16H,5-6,11H2,1-4H3
InChIKeyAYRGVFWYVZJHME-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.58
Rot. Bonds7

About 2-(2-butan-2-ylphenoxy)-N-ethylpropan-1-amine

2-(2-butan-2-ylphenoxy)-N-ethylpropan-1-amine (PubChem CID 54798619) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-(2-butan-2-ylphenoxy)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name2-(2-butan-2-ylphenoxy)-N-ethylpropan-1-amine
PubChem CID54798619
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-(2-butan-2-ylphenoxy)-N-ethylpropan-1-amine
SMILESCCNCC(C)Oc1ccccc1C(C)CC
InChIInChI=1S/C15H25NO/c1-5-12(3)14-9-7-8-10-15(14)17-13(4)11-16-6-2/h7-10,12-13,16H,5-6,11H2,1-4H3
InChIKeyAYRGVFWYVZJHME-UHFFFAOYSA-N
XLogP3.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[2-(2-butan-2-ylphenoxy)propyl]-4-N,4-N-diethylbenzene-1,4-diamine
CID 54796277
N-[2-(2-butan-2-ylphenoxy)propyl]-3-methoxyaniline
CID 54797517
4-(2-butan-2-ylphenoxy)-2-(ethylamino)-2-methylpentan-1-ol
CID 64804980
2-(2-butan-2-ylphenoxy)-N-butylbutan-1-amine
CID 54797379
N-[2-(2-propan-2-ylphenoxy)propyl]butan-2-amine
CID 62572033
(1S)-1-[2-[(2R)-butan-2-yl]oxyphenyl]-N-ethylethanamine
CID 93007357
N-[(2S)-2-[2-[(2R)-butan-2-yl]phenoxy]butyl]hexadecan-1-amine
CID 98044703
1-amino-4-(2-butan-2-ylphenoxy)-2-methylpentan-2-ol
CID 64814849
2-(2-butan-2-ylphenoxy)-N-phenylpropanamide
CID 17129825
tris(2-butan-2-ylphenyl) phosphite
CID 18519322
4-butan-2-yloxy-N-[2-(2-butan-2-ylphenoxy)ethyl]aniline
CID 54802814
N-[(1S)-1-[2-[(2R)-butan-2-yl]oxyphenyl]ethyl]-2-methylpropan-1-amine
CID 100556033

Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-ylphenoxy)-N-ethylpropan-1-amine?
The IUPAC name of 2-(2-butan-2-ylphenoxy)-N-ethylpropan-1-amine (CID 54798619) is 2-(2-butan-2-ylphenoxy)-N-ethylpropan-1-amine.
What is the SMILES notation for 2-(2-butan-2-ylphenoxy)-N-ethylpropan-1-amine?
The canonical SMILES for 2-(2-butan-2-ylphenoxy)-N-ethylpropan-1-amine is CCNCC(C)Oc1ccccc1C(C)CC.
What is the InChIKey of 2-(2-butan-2-ylphenoxy)-N-ethylpropan-1-amine?
The InChIKey is AYRGVFWYVZJHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-12(3)14-9-7-8-10-15(14)17-13(4)11-16-6-2/h7-10,12-13,16H,5-6,11H2,1-4H3.
What are the key properties of 2-(2-butan-2-ylphenoxy)-N-ethylpropan-1-amine?
2-(2-butan-2-ylphenoxy)-N-ethylpropan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-ylphenoxy)-N-ethylpropan-1-amine is sourced from PubChem (CID 54798619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).