1-[(2-methylpropan-2-yl)oxy]-4-phenylbutan-2-amine

C14H23NO — CID 105094062

IUPAC1-[(2-methylpropan-2-yl)oxy]-4-phenylbutan-2-amine
SMILESCC(C)(C)OCC(N)CCc1ccccc1
InChIInChI=1S/C14H23NO/c1-14(2,3)16-11-13(15)10-9-12-7-5-4-6-8-12/h4-8,13H,9-11,15H2,1-3H3
InChIKeyKZAPPDAVNZTTOH-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.76
Rot. Bonds5

About 1-[(2-methylpropan-2-yl)oxy]-4-phenylbutan-2-amine

1-[(2-methylpropan-2-yl)oxy]-4-phenylbutan-2-amine (PubChem CID 105094062) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]-4-phenylbutan-2-amine.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]-4-phenylbutan-2-amine
PubChem CID105094062
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-[(2-methylpropan-2-yl)oxy]-4-phenylbutan-2-amine
SMILESCC(C)(C)OCC(N)CCc1ccccc1
InChIInChI=1S/C14H23NO/c1-14(2,3)16-11-13(15)10-9-12-7-5-4-6-8-12/h4-8,13H,9-11,15H2,1-3H3
InChIKeyKZAPPDAVNZTTOH-UHFFFAOYSA-N
XLogP2.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-4-phenylbutan-2-amine?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-4-phenylbutan-2-amine (CID 105094062) is 1-[(2-methylpropan-2-yl)oxy]-4-phenylbutan-2-amine.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]-4-phenylbutan-2-amine?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]-4-phenylbutan-2-amine is CC(C)(C)OCC(N)CCc1ccccc1.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]-4-phenylbutan-2-amine?
The InChIKey is KZAPPDAVNZTTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-14(2,3)16-11-13(15)10-9-12-7-5-4-6-8-12/h4-8,13H,9-11,15H2,1-3H3.
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]-4-phenylbutan-2-amine?
1-[(2-methylpropan-2-yl)oxy]-4-phenylbutan-2-amine has a molecular weight of 221.34 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]-4-phenylbutan-2-amine is sourced from PubChem (CID 105094062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).