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

C13H21NO2 — CID 551640

IUPAC1-phenylmethoxy-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)COCc1ccccc1
InChIInChI=1S/C13H21NO2/c1-11(2)14-8-13(15)10-16-9-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3
InChIKeyIMHNLBMRIAQKAX-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.56
Rot. Bonds7

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

1-phenylmethoxy-3-(propan-2-ylamino)propan-2-ol (PubChem CID 551640) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-phenylmethoxy-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-phenylmethoxy-3-(propan-2-ylamino)propan-2-ol
PubChem CID551640
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-phenylmethoxy-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)COCc1ccccc1
InChIInChI=1S/C13H21NO2/c1-11(2)14-8-13(15)10-16-9-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3
InChIKeyIMHNLBMRIAQKAX-UHFFFAOYSA-N
XLogP1.56
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxy-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-phenylmethoxy-3-(propan-2-ylamino)propan-2-ol (CID 551640) is 1-phenylmethoxy-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-phenylmethoxy-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-phenylmethoxy-3-(propan-2-ylamino)propan-2-ol is CC(C)NCC(O)COCc1ccccc1.
What is the InChIKey of 1-phenylmethoxy-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is IMHNLBMRIAQKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-11(2)14-8-13(15)10-16-9-12-6-4-3-5-7-12/h3-7,11,13-15H,8-10H2,1-2H3.
What are the key properties of 1-phenylmethoxy-3-(propan-2-ylamino)propan-2-ol?
1-phenylmethoxy-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 223.32 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxy-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 551640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).