2-[(4-phenylmethoxyphenyl)methylamino]ethanol

C16H19NO2 — CID 2200287

IUPAC2-[(4-phenylmethoxyphenyl)methylamino]ethanol
SMILESOCCNCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C16H19NO2/c18-11-10-17-12-14-6-8-16(9-7-14)19-13-15-4-2-1-3-5-15/h1-9,17-18H,10-13H2
InChIKeyXOPHEIMYBDCIKN-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.35
Rot. Bonds7

About 2-[(4-phenylmethoxyphenyl)methylamino]ethanol

2-[(4-phenylmethoxyphenyl)methylamino]ethanol (PubChem CID 2200287) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-[(4-phenylmethoxyphenyl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(4-phenylmethoxyphenyl)methylamino]ethanol
PubChem CID2200287
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name2-[(4-phenylmethoxyphenyl)methylamino]ethanol
SMILESOCCNCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C16H19NO2/c18-11-10-17-12-14-6-8-16(9-7-14)19-13-15-4-2-1-3-5-15/h1-9,17-18H,10-13H2
InChIKeyXOPHEIMYBDCIKN-UHFFFAOYSA-N
XLogP2.35
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.35
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

5-[(4-phenylmethoxyphenyl)methylamino]pentan-1-ol;hydrochloride
CID 17211513
2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol
CID 4721972
acetic acid;2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol
CID 45100113
2-methylsulfanyl-N-[(4-phenylmethoxyphenyl)methyl]ethanamine
CID 60658282
N-[(4-phenylmethoxyphenyl)methyl]octan-1-amine;hydrochloride
CID 17331183
2-[(3-bromo-4-phenylmethoxyphenyl)methylamino]ethanol
CID 17157109
2-[3-[[4-[(2-chlorophenyl)methoxy]phenyl]methylamino]propylamino]ethanol
CID 17214037
N',N'-dibutyl-N-[(4-phenylmethoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride
CID 17214463
2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethanol;hydrochloride
CID 2950906
2-[(3,5-dichloro-4-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride
CID 17196015
2-[(3,5-dibromo-4-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride
CID 17157112
N-methyl-2-[(4-phenylmethoxyphenyl)methylamino]acetamide
CID 22421272

Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenylmethoxyphenyl)methylamino]ethanol?
The IUPAC name of 2-[(4-phenylmethoxyphenyl)methylamino]ethanol (CID 2200287) is 2-[(4-phenylmethoxyphenyl)methylamino]ethanol.
What is the SMILES notation for 2-[(4-phenylmethoxyphenyl)methylamino]ethanol?
The canonical SMILES for 2-[(4-phenylmethoxyphenyl)methylamino]ethanol is OCCNCc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-[(4-phenylmethoxyphenyl)methylamino]ethanol?
The InChIKey is XOPHEIMYBDCIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c18-11-10-17-12-14-6-8-16(9-7-14)19-13-15-4-2-1-3-5-15/h1-9,17-18H,10-13H2.
What are the key properties of 2-[(4-phenylmethoxyphenyl)methylamino]ethanol?
2-[(4-phenylmethoxyphenyl)methylamino]ethanol has a molecular weight of 257.33 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenylmethoxyphenyl)methylamino]ethanol is sourced from PubChem (CID 2200287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).