2-[3-(4-methyl-2-phenylphenoxy)propylamino]ethanol

C18H23NO2 — CID 70495492

IUPAC2-[3-(4-methyl-2-phenylphenoxy)propylamino]ethanol
SMILESCc1ccc(OCCCNCCO)c(-c2ccccc2)c1
InChIInChI=1S/C18H23NO2/c1-15-8-9-18(21-13-5-10-19-11-12-20)17(14-15)16-6-3-2-4-7-16/h2-4,6-9,14,19-20H,5,10-13H2,1H3
InChIKeyNJWWXKXQHBNIOP-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.01
Rot. Bonds8

About 2-[3-(4-methyl-2-phenylphenoxy)propylamino]ethanol

2-[3-(4-methyl-2-phenylphenoxy)propylamino]ethanol (PubChem CID 70495492) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[3-(4-methyl-2-phenylphenoxy)propylamino]ethanol.

Molecular Properties

Compound Name2-[3-(4-methyl-2-phenylphenoxy)propylamino]ethanol
PubChem CID70495492
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-[3-(4-methyl-2-phenylphenoxy)propylamino]ethanol
SMILESCc1ccc(OCCCNCCO)c(-c2ccccc2)c1
InChIInChI=1S/C18H23NO2/c1-15-8-9-18(21-13-5-10-19-11-12-20)17(14-15)16-6-3-2-4-7-16/h2-4,6-9,14,19-20H,5,10-13H2,1H3
InChIKeyNJWWXKXQHBNIOP-UHFFFAOYSA-N
XLogP3.01
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.01
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

2-[2-(2-chloro-4-methylphenoxy)ethylamino]ethanol
CID 2262928
2-[4-(4-methyl-2-prop-2-enylphenoxy)butylamino]ethanol;oxalic acid
CID 2922603
2-[3-(2,3-dimethylphenoxy)propylamino]ethanol
CID 2249838
oxalic acid;N-[2-(2-phenylphenoxy)ethyl]butan-1-amine
CID 2923477
2-[12-(4-methyl-2-phenylphenoxy)dodecyl]isoindole-1,3-dione
CID 70494668
2-methoxy-N-[2-(2-phenylphenoxy)ethyl]ethanamine
CID 2299314
N'-[4-(2-phenylphenoxy)butyl]ethane-1,2-diamine
CID 2299976
(4-methyl-2-phenylphenyl) hydrogen carbonate
CID 22141660
ethanol;2-[8-(2-hydroxyethylamino)octoxy]phenol
CID 143846527
3-methoxy-N-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]propan-1-amine
CID 2298387
3-(2,4-dimethylphenoxy)-N-ethylpropan-1-amine
CID 29015412
2-(2-benzyl-4-methylphenoxy)ethanol
CID 156845812

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methyl-2-phenylphenoxy)propylamino]ethanol?
The IUPAC name of 2-[3-(4-methyl-2-phenylphenoxy)propylamino]ethanol (CID 70495492) is 2-[3-(4-methyl-2-phenylphenoxy)propylamino]ethanol.
What is the SMILES notation for 2-[3-(4-methyl-2-phenylphenoxy)propylamino]ethanol?
The canonical SMILES for 2-[3-(4-methyl-2-phenylphenoxy)propylamino]ethanol is Cc1ccc(OCCCNCCO)c(-c2ccccc2)c1.
What is the InChIKey of 2-[3-(4-methyl-2-phenylphenoxy)propylamino]ethanol?
The InChIKey is NJWWXKXQHBNIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-15-8-9-18(21-13-5-10-19-11-12-20)17(14-15)16-6-3-2-4-7-16/h2-4,6-9,14,19-20H,5,10-13H2,1H3.
What are the key properties of 2-[3-(4-methyl-2-phenylphenoxy)propylamino]ethanol?
2-[3-(4-methyl-2-phenylphenoxy)propylamino]ethanol has a molecular weight of 285.39 g/mol, XLogP of 3.01, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methyl-2-phenylphenoxy)propylamino]ethanol is sourced from PubChem (CID 70495492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).