N-[(3-chloro-4-ethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride

C16H20Cl2N2O2 — CID 132897324

IUPACN-[(3-chloro-4-ethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride
SMILESCCOc1ccc(CNCCOc2ccccn2)cc1Cl.Cl
InChIInChI=1S/C16H19ClN2O2.ClH/c1-2-20-15-7-6-13(11-14(15)17)12-18-9-10-21-16-5-3-4-8-19-16;/h3-8,11,18H,2,9-10,12H2,1H3;1H
InChIKeyULHIYJHZQYEOTC-UHFFFAOYSA-N
MW343.25 g/mol
LogP3.72
Rot. Bonds8

About N-[(3-chloro-4-ethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride

N-[(3-chloro-4-ethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride (PubChem CID 132897324) has the molecular formula C16H20Cl2N2O2 and a molecular weight of 343.25 g/mol. Its IUPAC name is N-[(3-chloro-4-ethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(3-chloro-4-ethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride
PubChem CID132897324
Molecular FormulaC16H20Cl2N2O2
Molecular Weight343.25 g/mol
Exact Mass342.09
IUPAC NameN-[(3-chloro-4-ethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride
SMILESCCOc1ccc(CNCCOc2ccccn2)cc1Cl.Cl
InChIInChI=1S/C16H19ClN2O2.ClH/c1-2-20-15-7-6-13(11-14(15)17)12-18-9-10-21-16-5-3-4-8-19-16;/h3-8,11,18H,2,9-10,12H2,1H3;1H
InChIKeyULHIYJHZQYEOTC-UHFFFAOYSA-N
XLogP3.72
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 53.72
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-4,5-diethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine
CID 66526093
N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-pyridin-2-yloxyethanamine
CID 66526033
N-[(3,4-dichlorophenyl)methyl]-3-pyridin-2-yloxypropan-1-amine
CID 51051733
N-[(3-ethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride
CID 132893630
N-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine
CID 66525983
N-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-ethoxyphenyl]methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526211
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-pyridin-2-yloxyethanamine
CID 66526136
N-[(2-chlorophenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride
CID 132892888
N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine
CID 66526021
N-[(2-bromo-4,5-diethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine
CID 66533905
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526310
N-[(2-chlorophenyl)methyl]-2-pyridin-2-yloxyethanamine
CID 51370500

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-ethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride?
The IUPAC name of N-[(3-chloro-4-ethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride (CID 132897324) is N-[(3-chloro-4-ethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride.
What is the SMILES notation for N-[(3-chloro-4-ethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride?
The canonical SMILES for N-[(3-chloro-4-ethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride is CCOc1ccc(CNCCOc2ccccn2)cc1Cl.Cl.
What is the InChIKey of N-[(3-chloro-4-ethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride?
The InChIKey is ULHIYJHZQYEOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2.ClH/c1-2-20-15-7-6-13(11-14(15)17)12-18-9-10-21-16-5-3-4-8-19-16;/h3-8,11,18H,2,9-10,12H2,1H3;1H.
What are the key properties of N-[(3-chloro-4-ethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride?
N-[(3-chloro-4-ethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride has a molecular weight of 343.25 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-ethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride is sourced from PubChem (CID 132897324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).