3-amino-1,3-diphenylbutan-1-ol

C16H19NO — CID 91162990

IUPAC3-amino-1,3-diphenylbutan-1-ol
SMILESCC(N)(CC(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H19NO/c1-16(17,14-10-6-3-7-11-14)12-15(18)13-8-4-2-5-9-13/h2-11,15,18H,12,17H2,1H3
InChIKeyNCRRKFGKLCWZGE-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.98
Rot. Bonds4

About 3-amino-1,3-diphenylbutan-1-ol

3-amino-1,3-diphenylbutan-1-ol (PubChem CID 91162990) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-amino-1,3-diphenylbutan-1-ol.

Molecular Properties

Compound Name3-amino-1,3-diphenylbutan-1-ol
PubChem CID91162990
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name3-amino-1,3-diphenylbutan-1-ol
SMILESCC(N)(CC(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H19NO/c1-16(17,14-10-6-3-7-11-14)12-15(18)13-8-4-2-5-9-13/h2-11,15,18H,12,17H2,1H3
InChIKeyNCRRKFGKLCWZGE-UHFFFAOYSA-N
XLogP2.98
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1,3-diphenylbutan-1-ol?
The IUPAC name of 3-amino-1,3-diphenylbutan-1-ol (CID 91162990) is 3-amino-1,3-diphenylbutan-1-ol.
What is the SMILES notation for 3-amino-1,3-diphenylbutan-1-ol?
The canonical SMILES for 3-amino-1,3-diphenylbutan-1-ol is CC(N)(CC(O)c1ccccc1)c1ccccc1.
What is the InChIKey of 3-amino-1,3-diphenylbutan-1-ol?
The InChIKey is NCRRKFGKLCWZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-16(17,14-10-6-3-7-11-14)12-15(18)13-8-4-2-5-9-13/h2-11,15,18H,12,17H2,1H3.
What are the key properties of 3-amino-1,3-diphenylbutan-1-ol?
3-amino-1,3-diphenylbutan-1-ol has a molecular weight of 241.33 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,3-diphenylbutan-1-ol is sourced from PubChem (CID 91162990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).