2-(2-butan-2-ylphenoxy)-1-phenylethanamine

C18H23NO — CID 43099395

IUPAC2-(2-butan-2-ylphenoxy)-1-phenylethanamine
SMILESCCC(C)c1ccccc1OCC(N)c1ccccc1
InChIInChI=1S/C18H23NO/c1-3-14(2)16-11-7-8-12-18(16)20-13-17(19)15-9-5-4-6-10-15/h4-12,14,17H,3,13,19H2,1-2H3
InChIKeyCEEARODEMXOMDL-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.28
Rot. Bonds6

About 2-(2-butan-2-ylphenoxy)-1-phenylethanamine

2-(2-butan-2-ylphenoxy)-1-phenylethanamine (PubChem CID 43099395) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-(2-butan-2-ylphenoxy)-1-phenylethanamine.

Molecular Properties

Compound Name2-(2-butan-2-ylphenoxy)-1-phenylethanamine
PubChem CID43099395
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-(2-butan-2-ylphenoxy)-1-phenylethanamine
SMILESCCC(C)c1ccccc1OCC(N)c1ccccc1
InChIInChI=1S/C18H23NO/c1-3-14(2)16-11-7-8-12-18(16)20-13-17(19)15-9-5-4-6-10-15/h4-12,14,17H,3,13,19H2,1-2H3
InChIKeyCEEARODEMXOMDL-UHFFFAOYSA-N
XLogP4.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-butan-2-ylphenoxy)butan-2-amine
CID 43118978
2-(2-ethylphenoxy)-1-phenylethanamine;hydrochloride
CID 162317712
(1S)-2-(2-methylphenoxy)-1-phenylethanamine;hydrochloride
CID 164614673
1-[2-(bromomethyl)-3-methylbutoxy]-2-butan-2-ylbenzene
CID 65012453
2-(2-fluorophenoxy)-1-phenylethanamine
CID 16782769
2-(2-butan-2-ylphenoxy)ethanolate
CID 164822470
2-[2-(1-aminoethyl)phenoxy]-1-phenylethanol
CID 60878238
1-(2-butan-2-ylphenoxy)-N-methylpentan-2-amine
CID 62042987
2-(5-methyl-2-propan-2-ylphenoxy)-1-phenylethanamine
CID 43100574
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
1-(4-benzhydrylpiperazin-1-yl)-3-(2-butan-2-ylphenoxy)propan-2-ol;dihydrochloride
CID 171155114
2-(3-ethoxyphenoxy)-1-phenylethanamine
CID 62335579

Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-ylphenoxy)-1-phenylethanamine?
The IUPAC name of 2-(2-butan-2-ylphenoxy)-1-phenylethanamine (CID 43099395) is 2-(2-butan-2-ylphenoxy)-1-phenylethanamine.
What is the SMILES notation for 2-(2-butan-2-ylphenoxy)-1-phenylethanamine?
The canonical SMILES for 2-(2-butan-2-ylphenoxy)-1-phenylethanamine is CCC(C)c1ccccc1OCC(N)c1ccccc1.
What is the InChIKey of 2-(2-butan-2-ylphenoxy)-1-phenylethanamine?
The InChIKey is CEEARODEMXOMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-3-14(2)16-11-7-8-12-18(16)20-13-17(19)15-9-5-4-6-10-15/h4-12,14,17H,3,13,19H2,1-2H3.
What are the key properties of 2-(2-butan-2-ylphenoxy)-1-phenylethanamine?
2-(2-butan-2-ylphenoxy)-1-phenylethanamine has a molecular weight of 269.39 g/mol, XLogP of 4.28, 6 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)-1-phenylethanamine is sourced from PubChem (CID 43099395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).