1-[3-(4-butan-2-ylphenoxy)phenyl]ethanamine

C18H23NO — CID 107665344

IUPAC1-[3-(4-butan-2-ylphenoxy)phenyl]ethanamine
SMILESCCC(C)c1ccc(Oc2cccc(C(C)N)c2)cc1
InChIInChI=1S/C18H23NO/c1-4-13(2)15-8-10-17(11-9-15)20-18-7-5-6-16(12-18)14(3)19/h5-14H,4,19H2,1-3H3
InChIKeyYTVVTQNCLODXJF-UHFFFAOYSA-N
MW269.39 g/mol
LogP5.01
Rot. Bonds5

About 1-[3-(4-butan-2-ylphenoxy)phenyl]ethanamine

1-[3-(4-butan-2-ylphenoxy)phenyl]ethanamine (PubChem CID 107665344) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-[3-(4-butan-2-ylphenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-(4-butan-2-ylphenoxy)phenyl]ethanamine
PubChem CID107665344
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name1-[3-(4-butan-2-ylphenoxy)phenyl]ethanamine
SMILESCCC(C)c1ccc(Oc2cccc(C(C)N)c2)cc1
InChIInChI=1S/C18H23NO/c1-4-13(2)15-8-10-17(11-9-15)20-18-7-5-6-16(12-18)14(3)19/h5-14H,4,19H2,1-3H3
InChIKeyYTVVTQNCLODXJF-UHFFFAOYSA-N
XLogP5.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.39
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 29276487
1-[3-(4-methoxyphenoxy)phenyl]ethanamine
CID 79016052
1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 43102412
1-butan-2-yl-4-(3-chlorophenoxy)benzene
CID 90872043
3-(4-butan-2-ylphenoxy)benzaldehyde
CID 107665630
1-[4-(4-butan-2-ylphenoxy)phenyl]propan-2-amine
CID 107668862
[4-(4-butan-2-ylphenoxy)phenyl]methanamine
CID 107663619
2-[4-[3-(1-aminoethyl)phenoxy]phenyl]acetonitrile
CID 79170371
ethyl 3-[4-[(2R)-butan-2-yl]phenoxy]benzoate
CID 7100431
(1S)-1-[3-[(2S)-butan-2-yl]oxyphenyl]ethanamine
CID 28744549
(1S)-1-[4-[(2S)-butan-2-yl]phenyl]ethanamine
CID 7026226
1-[2-(4-butan-2-ylphenoxy)-6-fluorophenyl]ethanamine
CID 107665361

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-butan-2-ylphenoxy)phenyl]ethanamine?
The IUPAC name of 1-[3-(4-butan-2-ylphenoxy)phenyl]ethanamine (CID 107665344) is 1-[3-(4-butan-2-ylphenoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[3-(4-butan-2-ylphenoxy)phenyl]ethanamine?
The canonical SMILES for 1-[3-(4-butan-2-ylphenoxy)phenyl]ethanamine is CCC(C)c1ccc(Oc2cccc(C(C)N)c2)cc1.
What is the InChIKey of 1-[3-(4-butan-2-ylphenoxy)phenyl]ethanamine?
The InChIKey is YTVVTQNCLODXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-4-13(2)15-8-10-17(11-9-15)20-18-7-5-6-16(12-18)14(3)19/h5-14H,4,19H2,1-3H3.
What are the key properties of 1-[3-(4-butan-2-ylphenoxy)phenyl]ethanamine?
1-[3-(4-butan-2-ylphenoxy)phenyl]ethanamine has a molecular weight of 269.39 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-butan-2-ylphenoxy)phenyl]ethanamine is sourced from PubChem (CID 107665344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).