1-(cyclohexylamino)-3-phenylbutan-2-ol

C16H25NO — CID 114999845

IUPAC1-(cyclohexylamino)-3-phenylbutan-2-ol
SMILESCC(c1ccccc1)C(O)CNC1CCCCC1
InChIInChI=1S/C16H25NO/c1-13(14-8-4-2-5-9-14)16(18)12-17-15-10-6-3-7-11-15/h2,4-5,8-9,13,15-18H,3,6-7,10-12H2,1H3
InChIKeyLOWZVBJYYBOOLX-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.07
Rot. Bonds5

About 1-(cyclohexylamino)-3-phenylbutan-2-ol

1-(cyclohexylamino)-3-phenylbutan-2-ol (PubChem CID 114999845) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(cyclohexylamino)-3-phenylbutan-2-ol.

Molecular Properties

Compound Name1-(cyclohexylamino)-3-phenylbutan-2-ol
PubChem CID114999845
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(cyclohexylamino)-3-phenylbutan-2-ol
SMILESCC(c1ccccc1)C(O)CNC1CCCCC1
InChIInChI=1S/C16H25NO/c1-13(14-8-4-2-5-9-14)16(18)12-17-15-10-6-3-7-11-15/h2,4-5,8-9,13,15-18H,3,6-7,10-12H2,1H3
InChIKeyLOWZVBJYYBOOLX-UHFFFAOYSA-N
XLogP3.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylamino)-3-phenylbutan-2-ol?
The IUPAC name of 1-(cyclohexylamino)-3-phenylbutan-2-ol (CID 114999845) is 1-(cyclohexylamino)-3-phenylbutan-2-ol.
What is the SMILES notation for 1-(cyclohexylamino)-3-phenylbutan-2-ol?
The canonical SMILES for 1-(cyclohexylamino)-3-phenylbutan-2-ol is CC(c1ccccc1)C(O)CNC1CCCCC1.
What is the InChIKey of 1-(cyclohexylamino)-3-phenylbutan-2-ol?
The InChIKey is LOWZVBJYYBOOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13(14-8-4-2-5-9-14)16(18)12-17-15-10-6-3-7-11-15/h2,4-5,8-9,13,15-18H,3,6-7,10-12H2,1H3.
What are the key properties of 1-(cyclohexylamino)-3-phenylbutan-2-ol?
1-(cyclohexylamino)-3-phenylbutan-2-ol has a molecular weight of 247.38 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylamino)-3-phenylbutan-2-ol is sourced from PubChem (CID 114999845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).