H-9/64

C12H19NO2 — CID 3123920

IUPAC1-phenoxy-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(COC1=CC=CC=C1)O
InChIInChI=1S/C12H19NO2/c1-10(2)13-8-11(14)9-15-12-6-4-3-5-7-12/h3-7,10-11,13-14H,8-9H2,1-2H3
InChIKeyONXLHKFGTDDVLQ-UHFFFAOYSA-N
MW209.28 g/mol
LogP1.70
Rot. Bonds6

About H-9/64

H-9/64 (PubChem CID 3123920) has the molecular formula C12H19NO2 and a molecular weight of 209.28 g/mol. Its IUPAC name is 1-phenoxy-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound NameH-9/64
PubChem CID3123920
Molecular FormulaC12H19NO2
Molecular Weight209.28 g/mol
Exact Mass209.14
IUPAC Name1-phenoxy-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(COC1=CC=CC=C1)O
InChIInChI=1S/C12H19NO2/c1-10(2)13-8-11(14)9-15-12-6-4-3-5-7-12/h3-7,10-11,13-14H,8-9H2,1-2H3
InChIKeyONXLHKFGTDDVLQ-UHFFFAOYSA-N
XLogP1.70
TPSA41.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity156

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of H-9/64?
The IUPAC name of H-9/64 (CID 3123920) is 1-phenoxy-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for H-9/64?
The canonical SMILES for H-9/64 is CC(C)NCC(COC1=CC=CC=C1)O.
What is the InChIKey of H-9/64?
The InChIKey is ONXLHKFGTDDVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-10(2)13-8-11(14)9-15-12-6-4-3-5-7-12/h3-7,10-11,13-14H,8-9H2,1-2H3.
What are the key properties of H-9/64?
H-9/64 has a molecular weight of 209.28 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for H-9/64 is sourced from PubChem (CID 3123920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).