1-(4-phenylbutan-2-ylamino)propan-2-ol

C13H21NO — CID 20504057

IUPAC1-(4-phenylbutan-2-ylamino)propan-2-ol
SMILESCC(O)CNC(C)CCc1ccccc1
InChIInChI=1S/C13H21NO/c1-11(14-10-12(2)15)8-9-13-6-4-3-5-7-13/h3-7,11-12,14-15H,8-10H2,1-2H3
InChIKeyZWILTLJFFFPWRC-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.98
Rot. Bonds6

About 1-(4-phenylbutan-2-ylamino)propan-2-ol

1-(4-phenylbutan-2-ylamino)propan-2-ol (PubChem CID 20504057) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(4-phenylbutan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-phenylbutan-2-ylamino)propan-2-ol
PubChem CID20504057
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(4-phenylbutan-2-ylamino)propan-2-ol
SMILESCC(O)CNC(C)CCc1ccccc1
InChIInChI=1S/C13H21NO/c1-11(14-10-12(2)15)8-9-13-6-4-3-5-7-13/h3-7,11-12,14-15H,8-10H2,1-2H3
InChIKeyZWILTLJFFFPWRC-UHFFFAOYSA-N
XLogP1.98
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylbutan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(4-phenylbutan-2-ylamino)propan-2-ol (CID 20504057) is 1-(4-phenylbutan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(4-phenylbutan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(4-phenylbutan-2-ylamino)propan-2-ol is CC(O)CNC(C)CCc1ccccc1.
What is the InChIKey of 1-(4-phenylbutan-2-ylamino)propan-2-ol?
The InChIKey is ZWILTLJFFFPWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-11(14-10-12(2)15)8-9-13-6-4-3-5-7-13/h3-7,11-12,14-15H,8-10H2,1-2H3.
What are the key properties of 1-(4-phenylbutan-2-ylamino)propan-2-ol?
1-(4-phenylbutan-2-ylamino)propan-2-ol has a molecular weight of 207.32 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylbutan-2-ylamino)propan-2-ol is sourced from PubChem (CID 20504057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).