2-[3-[(2-phenylmethoxyphenyl)methylamino]propylamino]ethanol

C19H26N2O2 — CID 17214025

IUPAC2-[3-[(2-phenylmethoxyphenyl)methylamino]propylamino]ethanol
SMILESOCCNCCCNCc1ccccc1OCc1ccccc1
InChIInChI=1S/C19H26N2O2/c22-14-13-20-11-6-12-21-15-18-9-4-5-10-19(18)23-16-17-7-2-1-3-8-17/h1-5,7-10,20-22H,6,11-16H2
InChIKeyXDPTVYJRDLCJQM-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.33
Rot. Bonds11

About 2-[3-[(2-phenylmethoxyphenyl)methylamino]propylamino]ethanol

2-[3-[(2-phenylmethoxyphenyl)methylamino]propylamino]ethanol (PubChem CID 17214025) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-[3-[(2-phenylmethoxyphenyl)methylamino]propylamino]ethanol.

Molecular Properties

Compound Name2-[3-[(2-phenylmethoxyphenyl)methylamino]propylamino]ethanol
PubChem CID17214025
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name2-[3-[(2-phenylmethoxyphenyl)methylamino]propylamino]ethanol
SMILESOCCNCCCNCc1ccccc1OCc1ccccc1
InChIInChI=1S/C19H26N2O2/c22-14-13-20-11-6-12-21-15-18-9-4-5-10-19(18)23-16-17-7-2-1-3-8-17/h1-5,7-10,20-22H,6,11-16H2
InChIKeyXDPTVYJRDLCJQM-UHFFFAOYSA-N
XLogP2.33
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[(2-phenylmethoxyphenyl)methylamino]propylamino]ethanol;dihydrochloride
CID 17214024
2-[3-[[2-[(4-chlorophenyl)methoxy]phenyl]methylamino]propylamino]ethanol
CID 17214027
2-[3-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]propylamino]ethanol
CID 17214307
2-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]ethanol
CID 111421639
3-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]propan-1-ol
CID 110929258
N-[(2-phenylmethoxyphenyl)methyl]octan-1-amine
CID 4722697
2-[2-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]ethylamino]ethanol
CID 4724426
2-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride
CID 2959356
2-[2-[(2-hydroxyethylamino)methyl]phenoxy]acetic acid
CID 57411892
N'-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-N-methylpropane-1,3-diamine
CID 4720041
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]butan-1-amine
CID 4722043
2-methyl-3-[(2-phenylmethoxyphenyl)methylamino]propan-1-ol
CID 110906004

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-phenylmethoxyphenyl)methylamino]propylamino]ethanol?
The IUPAC name of 2-[3-[(2-phenylmethoxyphenyl)methylamino]propylamino]ethanol (CID 17214025) is 2-[3-[(2-phenylmethoxyphenyl)methylamino]propylamino]ethanol.
What is the SMILES notation for 2-[3-[(2-phenylmethoxyphenyl)methylamino]propylamino]ethanol?
The canonical SMILES for 2-[3-[(2-phenylmethoxyphenyl)methylamino]propylamino]ethanol is OCCNCCCNCc1ccccc1OCc1ccccc1.
What is the InChIKey of 2-[3-[(2-phenylmethoxyphenyl)methylamino]propylamino]ethanol?
The InChIKey is XDPTVYJRDLCJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c22-14-13-20-11-6-12-21-15-18-9-4-5-10-19(18)23-16-17-7-2-1-3-8-17/h1-5,7-10,20-22H,6,11-16H2.
What are the key properties of 2-[3-[(2-phenylmethoxyphenyl)methylamino]propylamino]ethanol?
2-[3-[(2-phenylmethoxyphenyl)methylamino]propylamino]ethanol has a molecular weight of 314.43 g/mol, XLogP of 2.33, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-phenylmethoxyphenyl)methylamino]propylamino]ethanol is sourced from PubChem (CID 17214025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).