2-[4-amino-2-[(2-methoxyphenyl)methylamino]phenoxy]ethanol;hydrochloride

C16H21ClN2O3 — CID 22026523

IUPAC2-[4-amino-2-[(2-methoxyphenyl)methylamino]phenoxy]ethanol;hydrochloride
SMILESCOc1ccccc1CNc1cc(N)ccc1OCCO.Cl
InChIInChI=1S/C16H20N2O3.ClH/c1-20-15-5-3-2-4-12(15)11-18-14-10-13(17)6-7-16(14)21-9-8-19;/h2-7,10,18-19H,8-9,11,17H2,1H3;1H
InChIKeyLKTJSCJTIQNNRN-UHFFFAOYSA-N
MW324.81 g/mol
LogP2.68
Rot. Bonds7

About 2-[4-amino-2-[(2-methoxyphenyl)methylamino]phenoxy]ethanol;hydrochloride

2-[4-amino-2-[(2-methoxyphenyl)methylamino]phenoxy]ethanol;hydrochloride (PubChem CID 22026523) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is 2-[4-amino-2-[(2-methoxyphenyl)methylamino]phenoxy]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[4-amino-2-[(2-methoxyphenyl)methylamino]phenoxy]ethanol;hydrochloride
PubChem CID22026523
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC Name2-[4-amino-2-[(2-methoxyphenyl)methylamino]phenoxy]ethanol;hydrochloride
SMILESCOc1ccccc1CNc1cc(N)ccc1OCCO.Cl
InChIInChI=1S/C16H20N2O3.ClH/c1-20-15-5-3-2-4-12(15)11-18-14-10-13(17)6-7-16(14)21-9-8-19;/h2-7,10,18-19H,8-9,11,17H2,1H3;1H
InChIKeyLKTJSCJTIQNNRN-UHFFFAOYSA-N
XLogP2.68
TPSA76.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-amino-2-[(3-aminophenyl)methylamino]phenoxy]ethanol;hydrochloride
CID 22026518
2-[4-amino-2-(pyridin-2-ylmethylamino)phenoxy]ethanol
CID 22026541
3-amino-2-[[5-amino-2-(2-hydroxyethoxy)anilino]methyl]phenol
CID 69381115
2-[2-methoxy-4-[[(2-methoxyphenyl)methylamino]methyl]phenoxy]ethanol
CID 17208366
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]aniline
CID 82539043
2-[4-[[5-amino-2-(2-hydroxyethoxy)anilino]methyl]-N-(2-hydroxyethyl)anilino]ethanol;hydrochloride
CID 22026554
2-[5-amino-2-(2-methoxyethoxy)anilino]ethanol
CID 57176639
2-[(5-amino-2-methoxyphenyl)methylamino]benzamide
CID 61015082
2-fluoro-5-methoxy-1-N-[(2-methoxyphenyl)methyl]benzene-1,4-diamine
CID 107258624
4-bromo-2-N-[(2-methoxyphenyl)methyl]benzene-1,2-diamine
CID 65343041
3-[[5-amino-2-(2-methoxyethoxy)anilino]methyl]phenol
CID 22026519
2-[2-[[(3-chloro-4-methoxyphenyl)methylamino]methyl]phenoxy]ethanol
CID 111467324

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-2-[(2-methoxyphenyl)methylamino]phenoxy]ethanol;hydrochloride?
The IUPAC name of 2-[4-amino-2-[(2-methoxyphenyl)methylamino]phenoxy]ethanol;hydrochloride (CID 22026523) is 2-[4-amino-2-[(2-methoxyphenyl)methylamino]phenoxy]ethanol;hydrochloride.
What is the SMILES notation for 2-[4-amino-2-[(2-methoxyphenyl)methylamino]phenoxy]ethanol;hydrochloride?
The canonical SMILES for 2-[4-amino-2-[(2-methoxyphenyl)methylamino]phenoxy]ethanol;hydrochloride is COc1ccccc1CNc1cc(N)ccc1OCCO.Cl.
What is the InChIKey of 2-[4-amino-2-[(2-methoxyphenyl)methylamino]phenoxy]ethanol;hydrochloride?
The InChIKey is LKTJSCJTIQNNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3.ClH/c1-20-15-5-3-2-4-12(15)11-18-14-10-13(17)6-7-16(14)21-9-8-19;/h2-7,10,18-19H,8-9,11,17H2,1H3;1H.
What are the key properties of 2-[4-amino-2-[(2-methoxyphenyl)methylamino]phenoxy]ethanol;hydrochloride?
2-[4-amino-2-[(2-methoxyphenyl)methylamino]phenoxy]ethanol;hydrochloride has a molecular weight of 324.81 g/mol, XLogP of 2.68, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-2-[(2-methoxyphenyl)methylamino]phenoxy]ethanol;hydrochloride is sourced from PubChem (CID 22026523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).