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

C14H23NO2 — CID 14223890

IUPAC1-(2-phenylethoxy)-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)COCCc1ccccc1
InChIInChI=1S/C14H23NO2/c1-12(2)15-10-14(16)11-17-9-8-13-6-4-3-5-7-13/h3-7,12,14-16H,8-11H2,1-2H3
InChIKeyAOMFBDBYKVHLLM-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.60
Rot. Bonds8

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

1-(2-phenylethoxy)-3-(propan-2-ylamino)propan-2-ol (PubChem CID 14223890) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-(2-phenylethoxy)-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-phenylethoxy)-3-(propan-2-ylamino)propan-2-ol
PubChem CID14223890
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-(2-phenylethoxy)-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)COCCc1ccccc1
InChIInChI=1S/C14H23NO2/c1-12(2)15-10-14(16)11-17-9-8-13-6-4-3-5-7-13/h3-7,12,14-16H,8-11H2,1-2H3
InChIKeyAOMFBDBYKVHLLM-UHFFFAOYSA-N
XLogP1.60
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(propan-2-ylamino)-3-[4-(2-propoxyethyl)phenoxy]propan-2-ol
CID 71336051
1-phenyl-3-(2-phenylethoxy)propan-2-ol
CID 150542863
1-(2,2-diphenylethoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 51063228
1-(2-phenylmethoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 13208810
(Z)-but-2-enedioic acid;1-phenylmethoxy-3-(propan-2-ylamino)propan-2-ol
CID 20840550
1-(2-phenylethoxy)butane-2,3-diol
CID 175116942
(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
CID 843464
1-[4-[2-(2-ethoxyethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 22056552
1-(propan-2-ylamino)-3-[4-[2-(2-propan-2-yloxyethoxy)ethyl]phenoxy]propan-2-ol
CID 4713278
1-[2-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 70046725
1-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 172990455
3-methyl-2-(2-phenylethoxy)-N-propan-2-ylbutan-1-amine
CID 115003011

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethoxy)-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(2-phenylethoxy)-3-(propan-2-ylamino)propan-2-ol (CID 14223890) is 1-(2-phenylethoxy)-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(2-phenylethoxy)-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(2-phenylethoxy)-3-(propan-2-ylamino)propan-2-ol is CC(C)NCC(O)COCCc1ccccc1.
What is the InChIKey of 1-(2-phenylethoxy)-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is AOMFBDBYKVHLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-12(2)15-10-14(16)11-17-9-8-13-6-4-3-5-7-13/h3-7,12,14-16H,8-11H2,1-2H3.
What are the key properties of 1-(2-phenylethoxy)-3-(propan-2-ylamino)propan-2-ol?
1-(2-phenylethoxy)-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 237.34 g/mol, XLogP of 1.60, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethoxy)-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 14223890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).