1-(2-aminoethoxy)-3-phenylmethoxypropan-2-ol

C12H19NO3 — CID 106939746

IUPAC1-(2-aminoethoxy)-3-phenylmethoxypropan-2-ol
SMILESNCCOCC(O)COCc1ccccc1
InChIInChI=1S/C12H19NO3/c13-6-7-15-9-12(14)10-16-8-11-4-2-1-3-5-11/h1-5,12,14H,6-10,13H2
InChIKeyDRBHAHIAGSAMOR-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.54
Rot. Bonds8

About 1-(2-aminoethoxy)-3-phenylmethoxypropan-2-ol

1-(2-aminoethoxy)-3-phenylmethoxypropan-2-ol (PubChem CID 106939746) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-(2-aminoethoxy)-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-(2-aminoethoxy)-3-phenylmethoxypropan-2-ol
PubChem CID106939746
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name1-(2-aminoethoxy)-3-phenylmethoxypropan-2-ol
SMILESNCCOCC(O)COCc1ccccc1
InChIInChI=1S/C12H19NO3/c13-6-7-15-9-12(14)10-16-8-11-4-2-1-3-5-11/h1-5,12,14H,6-10,13H2
InChIKeyDRBHAHIAGSAMOR-UHFFFAOYSA-N
XLogP0.54
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-1,4-bis(phenylmethoxy)butan-2-ol
CID 14814227
1-amino-3-phenylmethoxypropan-2-ol;oxalic acid
CID 46735900
ethane;2-phenylmethoxyethanamine
CID 142016503
CID 172760983
CID 172760983
(2-hydroxy-3-phenylmethoxypropyl) N-benzylcarbamate
CID 132559738
2-phenylmethoxyethane-1,1-diol
CID 59866645
(2R,3S)-3-amino-1,4-bis(phenylmethoxy)butan-2-ol
CID 10881156
(2S)-1-phenylmethoxy-3-trityloxypropan-2-ol
CID 11582634
(2S)-2,6-diamino-N-[2-[2-[(2R)-2-hydroxy-3-phenylmethoxypropoxy]ethoxy]ethyl]hexanamide
CID 139468187
2-[2-[2-(3-phenylmethoxypropoxy)ethoxy]ethoxy]ethanamine
CID 139363224
(4S)-5-phenylmethoxypentane-1,4-diol
CID 13181690
dibenzyl (2-hydroxy-3-phenylmethoxypropyl) phosphate
CID 11487549

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethoxy)-3-phenylmethoxypropan-2-ol?
The IUPAC name of 1-(2-aminoethoxy)-3-phenylmethoxypropan-2-ol (CID 106939746) is 1-(2-aminoethoxy)-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-(2-aminoethoxy)-3-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-(2-aminoethoxy)-3-phenylmethoxypropan-2-ol is NCCOCC(O)COCc1ccccc1.
What is the InChIKey of 1-(2-aminoethoxy)-3-phenylmethoxypropan-2-ol?
The InChIKey is DRBHAHIAGSAMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c13-6-7-15-9-12(14)10-16-8-11-4-2-1-3-5-11/h1-5,12,14H,6-10,13H2.
What are the key properties of 1-(2-aminoethoxy)-3-phenylmethoxypropan-2-ol?
1-(2-aminoethoxy)-3-phenylmethoxypropan-2-ol has a molecular weight of 225.29 g/mol, XLogP of 0.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethoxy)-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 106939746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).