N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine

C21H20Cl2N2O2 — CID 66526021

IUPACN-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine
SMILESClc1cc(CNCCOc2ccccn2)cc(Cl)c1OCc1ccccc1
InChIInChI=1S/C21H20Cl2N2O2/c22-18-12-17(14-24-10-11-26-20-8-4-5-9-25-20)13-19(23)21(18)27-15-16-6-2-1-3-7-16/h1-9,12-13,24H,10-11,14-15H2
InChIKeyHLHMDVXKIFKVJX-UHFFFAOYSA-N
MW403.31 g/mol
LogP5.14
Rot. Bonds9

About N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine

N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine (PubChem CID 66526021) has the molecular formula C21H20Cl2N2O2 and a molecular weight of 403.31 g/mol. Its IUPAC name is N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine.

Molecular Properties

Compound NameN-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine
PubChem CID66526021
Molecular FormulaC21H20Cl2N2O2
Molecular Weight403.31 g/mol
Exact Mass402.09
IUPAC NameN-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine
SMILESClc1cc(CNCCOc2ccccn2)cc(Cl)c1OCc1ccccc1
InChIInChI=1S/C21H20Cl2N2O2/c22-18-12-17(14-24-10-11-26-20-8-4-5-9-25-20)13-19(23)21(18)27-15-16-6-2-1-3-7-16/h1-9,12-13,24H,10-11,14-15H2
InChIKeyHLHMDVXKIFKVJX-UHFFFAOYSA-N
XLogP5.14
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.31
LogP ≤ 55.14
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-[[3-chloro-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526705
N-[(3,4-dichlorophenyl)methyl]-3-pyridin-2-yloxypropan-1-amine
CID 51051733
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526310
N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-pyridin-2-yloxyethanamine
CID 66526025
2-[(3,5-dichloro-4-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride
CID 17196015
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine
CID 66526077
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-pyridin-2-yloxyethanamine
CID 66526136
N-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526438
N-[(2-chlorophenyl)methyl]-2-pyridin-2-yloxyethanamine
CID 51370500
N-[(3-chloro-4-ethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride
CID 132897324
N-[(2-chlorophenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride
CID 132892888

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine?
The IUPAC name of N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine (CID 66526021) is N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine.
What is the SMILES notation for N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine?
The canonical SMILES for N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine is Clc1cc(CNCCOc2ccccn2)cc(Cl)c1OCc1ccccc1.
What is the InChIKey of N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine?
The InChIKey is HLHMDVXKIFKVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N2O2/c22-18-12-17(14-24-10-11-26-20-8-4-5-9-25-20)13-19(23)21(18)27-15-16-6-2-1-3-7-16/h1-9,12-13,24H,10-11,14-15H2.
What are the key properties of N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine?
N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine has a molecular weight of 403.31 g/mol, XLogP of 5.14, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine is sourced from PubChem (CID 66526021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).