2-[2-[2-[(propan-2-ylamino)methyl]phenoxy]phenyl]ethanol

C18H23NO2 — CID 107712955

IUPAC2-[2-[2-[(propan-2-ylamino)methyl]phenoxy]phenyl]ethanol
SMILESCC(C)NCc1ccccc1Oc1ccccc1CCO
InChIInChI=1S/C18H23NO2/c1-14(2)19-13-16-8-4-6-10-18(16)21-17-9-5-3-7-15(17)11-12-20/h3-10,14,19-20H,11-13H2,1-2H3
InChIKeyGKEILMNQRHWIER-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.51
Rot. Bonds7

About 2-[2-[2-[(propan-2-ylamino)methyl]phenoxy]phenyl]ethanol

2-[2-[2-[(propan-2-ylamino)methyl]phenoxy]phenyl]ethanol (PubChem CID 107712955) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[2-[2-[(propan-2-ylamino)methyl]phenoxy]phenyl]ethanol.

Molecular Properties

Compound Name2-[2-[2-[(propan-2-ylamino)methyl]phenoxy]phenyl]ethanol
PubChem CID107712955
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-[2-[2-[(propan-2-ylamino)methyl]phenoxy]phenyl]ethanol
SMILESCC(C)NCc1ccccc1Oc1ccccc1CCO
InChIInChI=1S/C18H23NO2/c1-14(2)19-13-16-8-4-6-10-18(16)21-17-9-5-3-7-15(17)11-12-20/h3-10,14,19-20H,11-13H2,1-2H3
InChIKeyGKEILMNQRHWIER-UHFFFAOYSA-N
XLogP3.51
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-[2-[(propan-2-ylamino)methyl]phenoxy]phenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-(2,3-dimethylphenoxy)phenyl]methyl]propan-2-amine
CID 43282794
2-[2-[2-(propylaminomethyl)phenoxy]phenyl]ethanol
CID 107712993
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027
N-[(2-pyridin-3-yloxyphenyl)methyl]propan-2-amine
CID 43283723
N-[[2-(2-bromo-4-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 43282598
N-[[2-(2-chloro-4-methylphenoxy)phenyl]methyl]propan-2-amine
CID 63550934
N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine
CID 54850060
N-[[2-(3-methylphenoxy)phenyl]methyl]propan-2-amine
CID 43283112
N-[[2-(4-bromo-2-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 43283629
N-[[2-(3,4-difluorophenoxy)phenyl]methyl]propan-2-amine
CID 43554911
2-[2-[2-[(1S)-1-aminoethyl]-3-fluorophenoxy]phenyl]ethanol
CID 107712758
N-[[2-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]propan-2-amine
CID 43283842

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(propan-2-ylamino)methyl]phenoxy]phenyl]ethanol?
The IUPAC name of 2-[2-[2-[(propan-2-ylamino)methyl]phenoxy]phenyl]ethanol (CID 107712955) is 2-[2-[2-[(propan-2-ylamino)methyl]phenoxy]phenyl]ethanol.
What is the SMILES notation for 2-[2-[2-[(propan-2-ylamino)methyl]phenoxy]phenyl]ethanol?
The canonical SMILES for 2-[2-[2-[(propan-2-ylamino)methyl]phenoxy]phenyl]ethanol is CC(C)NCc1ccccc1Oc1ccccc1CCO.
What is the InChIKey of 2-[2-[2-[(propan-2-ylamino)methyl]phenoxy]phenyl]ethanol?
The InChIKey is GKEILMNQRHWIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-14(2)19-13-16-8-4-6-10-18(16)21-17-9-5-3-7-15(17)11-12-20/h3-10,14,19-20H,11-13H2,1-2H3.
What are the key properties of 2-[2-[2-[(propan-2-ylamino)methyl]phenoxy]phenyl]ethanol?
2-[2-[2-[(propan-2-ylamino)methyl]phenoxy]phenyl]ethanol has a molecular weight of 285.39 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(propan-2-ylamino)methyl]phenoxy]phenyl]ethanol is sourced from PubChem (CID 107712955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).