3-phenyl-3-(propan-2-ylamino)propan-1-ol

C12H19NO — CID 57085642

IUPAC3-phenyl-3-(propan-2-ylamino)propan-1-ol
SMILESCC(C)NC(CCO)c1ccccc1
InChIInChI=1S/C12H19NO/c1-10(2)13-12(8-9-14)11-6-4-3-5-7-11/h3-7,10,12-14H,8-9H2,1-2H3
InChIKeyZVZNCEARCNPPTF-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.11
Rot. Bonds5

About 3-phenyl-3-(propan-2-ylamino)propan-1-ol

3-phenyl-3-(propan-2-ylamino)propan-1-ol (PubChem CID 57085642) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-phenyl-3-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name3-phenyl-3-(propan-2-ylamino)propan-1-ol
PubChem CID57085642
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name3-phenyl-3-(propan-2-ylamino)propan-1-ol
SMILESCC(C)NC(CCO)c1ccccc1
InChIInChI=1S/C12H19NO/c1-10(2)13-12(8-9-14)11-6-4-3-5-7-11/h3-7,10,12-14H,8-9H2,1-2H3
InChIKeyZVZNCEARCNPPTF-UHFFFAOYSA-N
XLogP2.11
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-3-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 3-phenyl-3-(propan-2-ylamino)propan-1-ol (CID 57085642) is 3-phenyl-3-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 3-phenyl-3-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 3-phenyl-3-(propan-2-ylamino)propan-1-ol is CC(C)NC(CCO)c1ccccc1.
What is the InChIKey of 3-phenyl-3-(propan-2-ylamino)propan-1-ol?
The InChIKey is ZVZNCEARCNPPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-10(2)13-12(8-9-14)11-6-4-3-5-7-11/h3-7,10,12-14H,8-9H2,1-2H3.
What are the key properties of 3-phenyl-3-(propan-2-ylamino)propan-1-ol?
3-phenyl-3-(propan-2-ylamino)propan-1-ol has a molecular weight of 193.29 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-3-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 57085642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).