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

C19H28Cl2N2O2 — CID 17214024

IUPAC2-[3-[(2-phenylmethoxyphenyl)methylamino]propylamino]ethanol;dihydrochloride
SMILESCl.Cl.OCCNCCCNCc1ccccc1OCc1ccccc1
InChIInChI=1S/C19H26N2O2.2ClH/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;2*1H
InChIKeyRZAJGFHMLVJGDJ-UHFFFAOYSA-N
MW387.35 g/mol
LogP3.17
Rot. Bonds11

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

2-[3-[(2-phenylmethoxyphenyl)methylamino]propylamino]ethanol;dihydrochloride (PubChem CID 17214024) has the molecular formula C19H28Cl2N2O2 and a molecular weight of 387.35 g/mol. Its IUPAC name is 2-[3-[(2-phenylmethoxyphenyl)methylamino]propylamino]ethanol;dihydrochloride.

Molecular Properties

Compound Name2-[3-[(2-phenylmethoxyphenyl)methylamino]propylamino]ethanol;dihydrochloride
PubChem CID17214024
Molecular FormulaC19H28Cl2N2O2
Molecular Weight387.35 g/mol
Exact Mass386.15
IUPAC Name2-[3-[(2-phenylmethoxyphenyl)methylamino]propylamino]ethanol;dihydrochloride
SMILESCl.Cl.OCCNCCCNCc1ccccc1OCc1ccccc1
InChIInChI=1S/C19H26N2O2.2ClH/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;2*1H
InChIKeyRZAJGFHMLVJGDJ-UHFFFAOYSA-N
XLogP3.17
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.35
LogP ≤ 53.17
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
CID 17214025
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-[(3-methoxy-2-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride
CID 2959356
2-[2-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]ethylamino]ethanol
CID 4724426
2-(4-chlorophenyl)-N-[(2-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17208380
N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]butan-1-amine;hydrochloride
CID 17054240
2-[2-[(2-hydroxyethylamino)methyl]phenoxy]acetic acid
CID 57411892
2-[2-[(2-methoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride
CID 17294920

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-phenylmethoxyphenyl)methylamino]propylamino]ethanol;dihydrochloride?
The IUPAC name of 2-[3-[(2-phenylmethoxyphenyl)methylamino]propylamino]ethanol;dihydrochloride (CID 17214024) is 2-[3-[(2-phenylmethoxyphenyl)methylamino]propylamino]ethanol;dihydrochloride.
What is the SMILES notation for 2-[3-[(2-phenylmethoxyphenyl)methylamino]propylamino]ethanol;dihydrochloride?
The canonical SMILES for 2-[3-[(2-phenylmethoxyphenyl)methylamino]propylamino]ethanol;dihydrochloride is Cl.Cl.OCCNCCCNCc1ccccc1OCc1ccccc1.
What is the InChIKey of 2-[3-[(2-phenylmethoxyphenyl)methylamino]propylamino]ethanol;dihydrochloride?
The InChIKey is RZAJGFHMLVJGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2.2ClH/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;2*1H.
What are the key properties of 2-[3-[(2-phenylmethoxyphenyl)methylamino]propylamino]ethanol;dihydrochloride?
2-[3-[(2-phenylmethoxyphenyl)methylamino]propylamino]ethanol;dihydrochloride has a molecular weight of 387.35 g/mol, XLogP of 3.17, 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;dihydrochloride is sourced from PubChem (CID 17214024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).