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

C14H23NO — CID 107664163

IUPAC1-(4-butan-2-ylphenoxy)butan-2-amine
SMILESCCC(N)COc1ccc(C(C)CC)cc1
InChIInChI=1S/C14H23NO/c1-4-11(3)12-6-8-14(9-7-12)16-10-13(15)5-2/h6-9,11,13H,4-5,10,15H2,1-3H3
InChIKeyYUHKTVJNGYFXRG-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.32
Rot. Bonds6

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

1-(4-butan-2-ylphenoxy)butan-2-amine (PubChem CID 107664163) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(4-butan-2-ylphenoxy)butan-2-amine.

Molecular Properties

Compound Name1-(4-butan-2-ylphenoxy)butan-2-amine
PubChem CID107664163
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(4-butan-2-ylphenoxy)butan-2-amine
SMILESCCC(N)COc1ccc(C(C)CC)cc1
InChIInChI=1S/C14H23NO/c1-4-11(3)12-6-8-14(9-7-12)16-10-13(15)5-2/h6-9,11,13H,4-5,10,15H2,1-3H3
InChIKeyYUHKTVJNGYFXRG-UHFFFAOYSA-N
XLogP3.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(4-butan-2-ylphenoxy)hexan-3-amine
CID 107664234
2-amino-3-(4-butan-2-ylphenoxy)propanamide
CID 107663516
1-(4-ethylphenoxy)butan-2-amine
CID 62038281
3-(4-butan-2-ylphenoxy)-2-methylpropanamide
CID 107669112
(2R)-1-(4-tert-butylphenoxy)butan-2-amine
CID 94338350
2-[(4-butan-2-ylphenoxy)methyl]butane-1-thiol
CID 107669472
2-(4-butan-2-ylphenoxy)-1-(2-methylphenyl)ethanamine
CID 107664275
1-(4-phenylphenoxy)butan-2-amine
CID 62039154
(4-butan-2-ylphenyl)-(4-methoxyphenyl)methanamine
CID 43198098
(1S)-1-[4-[(2S)-butan-2-yl]phenyl]ethanamine
CID 7026226
2-(4-butan-2-ylphenoxy)-1-(oxolan-3-yl)ethanamine
CID 107664229
2-(4-butan-2-ylphenoxy)-N-methylethanamine
CID 107664179

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylphenoxy)butan-2-amine?
The IUPAC name of 1-(4-butan-2-ylphenoxy)butan-2-amine (CID 107664163) is 1-(4-butan-2-ylphenoxy)butan-2-amine.
What is the SMILES notation for 1-(4-butan-2-ylphenoxy)butan-2-amine?
The canonical SMILES for 1-(4-butan-2-ylphenoxy)butan-2-amine is CCC(N)COc1ccc(C(C)CC)cc1.
What is the InChIKey of 1-(4-butan-2-ylphenoxy)butan-2-amine?
The InChIKey is YUHKTVJNGYFXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-11(3)12-6-8-14(9-7-12)16-10-13(15)5-2/h6-9,11,13H,4-5,10,15H2,1-3H3.
What are the key properties of 1-(4-butan-2-ylphenoxy)butan-2-amine?
1-(4-butan-2-ylphenoxy)butan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylphenoxy)butan-2-amine is sourced from PubChem (CID 107664163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).