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

C15H25NO — CID 23137658

IUPAC3-[di(propan-2-yl)amino]-1-phenylpropan-1-ol
SMILESCC(C)N(CCC(O)c1ccccc1)C(C)C
InChIInChI=1S/C15H25NO/c1-12(2)16(13(3)4)11-10-15(17)14-8-6-5-7-9-14/h5-9,12-13,15,17H,10-11H2,1-4H3
InChIKeySXODMKSOGDHMMR-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.23
Rot. Bonds6

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

3-[di(propan-2-yl)amino]-1-phenylpropan-1-ol (PubChem CID 23137658) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-[di(propan-2-yl)amino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[di(propan-2-yl)amino]-1-phenylpropan-1-ol
PubChem CID23137658
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name3-[di(propan-2-yl)amino]-1-phenylpropan-1-ol
SMILESCC(C)N(CCC(O)c1ccccc1)C(C)C
InChIInChI=1S/C15H25NO/c1-12(2)16(13(3)4)11-10-15(17)14-8-6-5-7-9-14/h5-9,12-13,15,17H,10-11H2,1-4H3
InChIKeySXODMKSOGDHMMR-UHFFFAOYSA-N
XLogP3.23
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[di(propan-2-yl)amino]-1-phenylpropan-1-ol?
The IUPAC name of 3-[di(propan-2-yl)amino]-1-phenylpropan-1-ol (CID 23137658) is 3-[di(propan-2-yl)amino]-1-phenylpropan-1-ol.
What is the SMILES notation for 3-[di(propan-2-yl)amino]-1-phenylpropan-1-ol?
The canonical SMILES for 3-[di(propan-2-yl)amino]-1-phenylpropan-1-ol is CC(C)N(CCC(O)c1ccccc1)C(C)C.
What is the InChIKey of 3-[di(propan-2-yl)amino]-1-phenylpropan-1-ol?
The InChIKey is SXODMKSOGDHMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-12(2)16(13(3)4)11-10-15(17)14-8-6-5-7-9-14/h5-9,12-13,15,17H,10-11H2,1-4H3.
What are the key properties of 3-[di(propan-2-yl)amino]-1-phenylpropan-1-ol?
3-[di(propan-2-yl)amino]-1-phenylpropan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[di(propan-2-yl)amino]-1-phenylpropan-1-ol is sourced from PubChem (CID 23137658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).