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

C12H19NO — CID 29545

IUPAC1-phenyl-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)Cc1ccccc1
InChIInChI=1S/C12H19NO/c1-10(2)13-9-12(14)8-11-6-4-3-5-7-11/h3-7,10,12-14H,8-9H2,1-2H3
InChIKeySHNJNXNMYKGBGP-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.59
Rot. Bonds5

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

1-phenyl-3-(propan-2-ylamino)propan-2-ol (PubChem CID 29545) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-phenyl-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-phenyl-3-(propan-2-ylamino)propan-2-ol
PubChem CID29545
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-phenyl-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)Cc1ccccc1
InChIInChI=1S/C12H19NO/c1-10(2)13-9-12(14)8-11-6-4-3-5-7-11/h3-7,10,12-14H,8-9H2,1-2H3
InChIKeySHNJNXNMYKGBGP-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-phenyl-3-(propan-2-ylamino)propan-2-ol (CID 29545) is 1-phenyl-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-phenyl-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-phenyl-3-(propan-2-ylamino)propan-2-ol is CC(C)NCC(O)Cc1ccccc1.
What is the InChIKey of 1-phenyl-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is SHNJNXNMYKGBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-10(2)13-9-12(14)8-11-6-4-3-5-7-11/h3-7,10,12-14H,8-9H2,1-2H3.
What are the key properties of 1-phenyl-3-(propan-2-ylamino)propan-2-ol?
1-phenyl-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 193.29 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 29545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).