2-[2-[[(4-methylphenyl)-phenylmethyl]amino]ethoxy]ethanol

C18H23NO2 — CID 110878023

IUPAC2-[2-[[(4-methylphenyl)-phenylmethyl]amino]ethoxy]ethanol
SMILESCc1ccc(C(NCCOCCO)c2ccccc2)cc1
InChIInChI=1S/C18H23NO2/c1-15-7-9-17(10-8-15)18(16-5-3-2-4-6-16)19-11-13-21-14-12-20/h2-10,18-20H,11-14H2,1H3
InChIKeyYXQOZMKNJMKAKB-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.68
Rot. Bonds8

About 2-[2-[[(4-methylphenyl)-phenylmethyl]amino]ethoxy]ethanol

2-[2-[[(4-methylphenyl)-phenylmethyl]amino]ethoxy]ethanol (PubChem CID 110878023) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[2-[[(4-methylphenyl)-phenylmethyl]amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[(4-methylphenyl)-phenylmethyl]amino]ethoxy]ethanol
PubChem CID110878023
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-[2-[[(4-methylphenyl)-phenylmethyl]amino]ethoxy]ethanol
SMILESCc1ccc(C(NCCOCCO)c2ccccc2)cc1
InChIInChI=1S/C18H23NO2/c1-15-7-9-17(10-8-15)18(16-5-3-2-4-6-16)19-11-13-21-14-12-20/h2-10,18-20H,11-14H2,1H3
InChIKeyYXQOZMKNJMKAKB-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
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-[1-(4-phenylphenyl)ethylamino]ethoxy]ethanol
CID 43207514
N-[(R)-(4-methylphenyl)-phenylmethyl]propan-1-amine
CID 93032197
2-[2-(2-hydroxyethoxy)ethylamino]-3-methyl-1-(4-methylphenyl)butan-1-ol
CID 82312437
2-(2-hydroxyethoxy)ethanol;toluene
CID 157148794
N-[(4-methylphenyl)-phenylmethyl]ethanamine
CID 43389847
2-[[(4-methoxyphenyl)-(4-methylphenyl)methyl]amino]ethanol
CID 75482273
2-ethoxy-N-[(4-methoxyphenyl)-phenylmethyl]ethanamine
CID 43403754
2-[2-(2-hydroxyethoxy)ethylamino]-1-(4-methylphenyl)ethanol
CID 82312260
2-[[(3-methylphenyl)-phenylmethyl]amino]ethanol
CID 144916597
N-[(4-methylphenyl)-phenylmethyl]octan-1-amine
CID 3847928
2-[[(2,5-dimethylphenyl)-phenylmethyl]amino]ethanol
CID 43151186
2-[2-[[(4-bromophenyl)-(furan-2-yl)methyl]amino]ethoxy]ethanol
CID 110013011

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(4-methylphenyl)-phenylmethyl]amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[[(4-methylphenyl)-phenylmethyl]amino]ethoxy]ethanol (CID 110878023) is 2-[2-[[(4-methylphenyl)-phenylmethyl]amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[[(4-methylphenyl)-phenylmethyl]amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[[(4-methylphenyl)-phenylmethyl]amino]ethoxy]ethanol is Cc1ccc(C(NCCOCCO)c2ccccc2)cc1.
What is the InChIKey of 2-[2-[[(4-methylphenyl)-phenylmethyl]amino]ethoxy]ethanol?
The InChIKey is YXQOZMKNJMKAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-15-7-9-17(10-8-15)18(16-5-3-2-4-6-16)19-11-13-21-14-12-20/h2-10,18-20H,11-14H2,1H3.
What are the key properties of 2-[2-[[(4-methylphenyl)-phenylmethyl]amino]ethoxy]ethanol?
2-[2-[[(4-methylphenyl)-phenylmethyl]amino]ethoxy]ethanol has a molecular weight of 285.39 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(4-methylphenyl)-phenylmethyl]amino]ethoxy]ethanol is sourced from PubChem (CID 110878023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).