1-(4-phenylphenoxy)butan-2-amine

C16H19NO — CID 62039154

IUPAC1-(4-phenylphenoxy)butan-2-amine
SMILESCCC(N)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H19NO/c1-2-15(17)12-18-16-10-8-14(9-11-16)13-6-4-3-5-7-13/h3-11,15H,2,12,17H2,1H3
InChIKeyYTASZRICAHMRCF-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.47
Rot. Bonds5

About 1-(4-phenylphenoxy)butan-2-amine

1-(4-phenylphenoxy)butan-2-amine (PubChem CID 62039154) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(4-phenylphenoxy)butan-2-amine.

Molecular Properties

Compound Name1-(4-phenylphenoxy)butan-2-amine
PubChem CID62039154
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name1-(4-phenylphenoxy)butan-2-amine
SMILESCCC(N)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H19NO/c1-2-15(17)12-18-16-10-8-14(9-11-16)13-6-4-3-5-7-13/h3-11,15H,2,12,17H2,1H3
InChIKeyYTASZRICAHMRCF-UHFFFAOYSA-N
XLogP3.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-methyl-1-(4-phenylphenoxy)butan-2-amine
CID 39109994
1-(4-ethylphenoxy)butan-2-amine
CID 62038281
(2R)-1-(4-tert-butylphenoxy)butan-2-amine
CID 94338350
1-(4-butan-2-ylphenoxy)butan-2-amine
CID 107664163
1-(4-methylphenoxy)-3-phenylpropan-2-amine
CID 117241547
3-ethoxy-3-oxo-2-[(4-phenylphenoxy)methyl]propanoic acid
CID 20773784
1-(4-phenylphenyl)butan-2-amine
CID 23591877
1-methoxy-3-(4-phenoxyphenoxy)propan-2-amine
CID 107506606
[(2S)-2-hydroxy-3-(4-phenylphenoxy)propyl]-trimethylazanium
CID 51859248
(4-phenylphenoxy)methyl 2-methylbutanoate
CID 58925073
[2-hydroxy-3-(4-phenylphenoxy)propyl] carbamate
CID 165353807
1-(ethoxymethoxy)-4-phenylbenzene
CID 146557132

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylphenoxy)butan-2-amine?
The IUPAC name of 1-(4-phenylphenoxy)butan-2-amine (CID 62039154) is 1-(4-phenylphenoxy)butan-2-amine.
What is the SMILES notation for 1-(4-phenylphenoxy)butan-2-amine?
The canonical SMILES for 1-(4-phenylphenoxy)butan-2-amine is CCC(N)COc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(4-phenylphenoxy)butan-2-amine?
The InChIKey is YTASZRICAHMRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-2-15(17)12-18-16-10-8-14(9-11-16)13-6-4-3-5-7-13/h3-11,15H,2,12,17H2,1H3.
What are the key properties of 1-(4-phenylphenoxy)butan-2-amine?
1-(4-phenylphenoxy)butan-2-amine has a molecular weight of 241.33 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylphenoxy)butan-2-amine is sourced from PubChem (CID 62039154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).