3-[benzyl(propan-2-yl)amino]-1-phenylpropan-1-ol

C19H25NO — CID 59570682

IUPAC3-[benzyl(propan-2-yl)amino]-1-phenylpropan-1-ol
SMILESCC(C)N(CCC(O)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H25NO/c1-16(2)20(15-17-9-5-3-6-10-17)14-13-19(21)18-11-7-4-8-12-18/h3-12,16,19,21H,13-15H2,1-2H3
InChIKeyUPIAPTKUWIJGAH-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.02
Rot. Bonds7

About 3-[benzyl(propan-2-yl)amino]-1-phenylpropan-1-ol

3-[benzyl(propan-2-yl)amino]-1-phenylpropan-1-ol (PubChem CID 59570682) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-[benzyl(propan-2-yl)amino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[benzyl(propan-2-yl)amino]-1-phenylpropan-1-ol
PubChem CID59570682
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name3-[benzyl(propan-2-yl)amino]-1-phenylpropan-1-ol
SMILESCC(C)N(CCC(O)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H25NO/c1-16(2)20(15-17-9-5-3-6-10-17)14-13-19(21)18-11-7-4-8-12-18/h3-12,16,19,21H,13-15H2,1-2H3
InChIKeyUPIAPTKUWIJGAH-UHFFFAOYSA-N
XLogP4.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(propan-2-yl)amino]-1-phenylpropan-1-ol?
The IUPAC name of 3-[benzyl(propan-2-yl)amino]-1-phenylpropan-1-ol (CID 59570682) is 3-[benzyl(propan-2-yl)amino]-1-phenylpropan-1-ol.
What is the SMILES notation for 3-[benzyl(propan-2-yl)amino]-1-phenylpropan-1-ol?
The canonical SMILES for 3-[benzyl(propan-2-yl)amino]-1-phenylpropan-1-ol is CC(C)N(CCC(O)c1ccccc1)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(propan-2-yl)amino]-1-phenylpropan-1-ol?
The InChIKey is UPIAPTKUWIJGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-16(2)20(15-17-9-5-3-6-10-17)14-13-19(21)18-11-7-4-8-12-18/h3-12,16,19,21H,13-15H2,1-2H3.
What are the key properties of 3-[benzyl(propan-2-yl)amino]-1-phenylpropan-1-ol?
3-[benzyl(propan-2-yl)amino]-1-phenylpropan-1-ol has a molecular weight of 283.42 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(propan-2-yl)amino]-1-phenylpropan-1-ol is sourced from PubChem (CID 59570682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).