1,2-diphenyl-3-(propan-2-ylamino)propan-2-ol

C18H23NO — CID 3054347

IUPAC1,2-diphenyl-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H23NO/c1-15(2)19-14-18(20,17-11-7-4-8-12-17)13-16-9-5-3-6-10-16/h3-12,15,19-20H,13-14H2,1-2H3
InChIKeyPWTRDTGHXYWWKH-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.11
Rot. Bonds6

About 1,2-diphenyl-3-(propan-2-ylamino)propan-2-ol

1,2-diphenyl-3-(propan-2-ylamino)propan-2-ol (PubChem CID 3054347) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 1,2-diphenyl-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1,2-diphenyl-3-(propan-2-ylamino)propan-2-ol
PubChem CID3054347
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name1,2-diphenyl-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H23NO/c1-15(2)19-14-18(20,17-11-7-4-8-12-17)13-16-9-5-3-6-10-16/h3-12,15,19-20H,13-14H2,1-2H3
InChIKeyPWTRDTGHXYWWKH-UHFFFAOYSA-N
XLogP3.11
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-diphenyl-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1,2-diphenyl-3-(propan-2-ylamino)propan-2-ol (CID 3054347) is 1,2-diphenyl-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1,2-diphenyl-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1,2-diphenyl-3-(propan-2-ylamino)propan-2-ol is CC(C)NCC(O)(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1,2-diphenyl-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is PWTRDTGHXYWWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-15(2)19-14-18(20,17-11-7-4-8-12-17)13-16-9-5-3-6-10-16/h3-12,15,19-20H,13-14H2,1-2H3.
What are the key properties of 1,2-diphenyl-3-(propan-2-ylamino)propan-2-ol?
1,2-diphenyl-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 269.39 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenyl-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 3054347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).