N-[(3-ethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride

C16H21ClN2O2 — CID 132893630

IUPACN-[(3-ethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride
SMILESCCOc1cccc(CNCCOc2ccccn2)c1.Cl
InChIInChI=1S/C16H20N2O2.ClH/c1-2-19-15-7-5-6-14(12-15)13-17-10-11-20-16-8-3-4-9-18-16;/h3-9,12,17H,2,10-11,13H2,1H3;1H
InChIKeyAKPWMKNSROEFEN-UHFFFAOYSA-N
MW308.81 g/mol
LogP3.07
Rot. Bonds8

About N-[(3-ethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride

N-[(3-ethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride (PubChem CID 132893630) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride
PubChem CID132893630
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC NameN-[(3-ethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride
SMILESCCOc1cccc(CNCCOc2ccccn2)c1.Cl
InChIInChI=1S/C16H20N2O2.ClH/c1-2-19-15-7-5-6-14(12-15)13-17-10-11-20-16-8-3-4-9-18-16;/h3-9,12,17H,2,10-11,13H2,1H3;1H
InChIKeyAKPWMKNSROEFEN-UHFFFAOYSA-N
XLogP3.07
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-chloro-4-ethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride
CID 132897324
N-[(3-chloro-4,5-diethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine
CID 66526093
2-[2-[(3-ethoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride
CID 17295669
N-[(3-ethoxyphenyl)methyl]pentan-1-amine
CID 4717531
N-[(3-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine
CID 2227150
N-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine
CID 66525983
N-[(3-ethoxyphenyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
CID 113258303
N-(2-pyridin-2-yloxyethyl)propan-1-amine
CID 62348524
N-[(3-ethoxyphenyl)methyl]heptan-1-amine
CID 4717571
N-benzyl-3-[(6-ethoxy-2-pyridinyl)oxy]propan-1-amine
CID 114783211
N-[(2-bromo-4,5-diethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine
CID 66533905
N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-pyridin-2-yloxyethanamine
CID 66526033

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride?
The IUPAC name of N-[(3-ethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride (CID 132893630) is N-[(3-ethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride.
What is the SMILES notation for N-[(3-ethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride?
The canonical SMILES for N-[(3-ethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride is CCOc1cccc(CNCCOc2ccccn2)c1.Cl.
What is the InChIKey of N-[(3-ethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride?
The InChIKey is AKPWMKNSROEFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2.ClH/c1-2-19-15-7-5-6-14(12-15)13-17-10-11-20-16-8-3-4-9-18-16;/h3-9,12,17H,2,10-11,13H2,1H3;1H.
What are the key properties of N-[(3-ethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride?
N-[(3-ethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride has a molecular weight of 308.81 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride is sourced from PubChem (CID 132893630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).