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

C14H15Cl3N2O — CID 132896157

IUPACN-[(2,3-dichlorophenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride
SMILESCl.Clc1cccc(CNCCOc2ccccn2)c1Cl
InChIInChI=1S/C14H14Cl2N2O.ClH/c15-12-5-3-4-11(14(12)16)10-17-8-9-19-13-6-1-2-7-18-13;/h1-7,17H,8-10H2;1H
InChIKeyXVBVEYYUJMOXEX-UHFFFAOYSA-N
MW333.65 g/mol
LogP3.98
Rot. Bonds6

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

N-[(2,3-dichlorophenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride (PubChem CID 132896157) has the molecular formula C14H15Cl3N2O and a molecular weight of 333.65 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride
PubChem CID132896157
Molecular FormulaC14H15Cl3N2O
Molecular Weight333.65 g/mol
Exact Mass332.02
IUPAC NameN-[(2,3-dichlorophenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride
SMILESCl.Clc1cccc(CNCCOc2ccccn2)c1Cl
InChIInChI=1S/C14H14Cl2N2O.ClH/c15-12-5-3-4-11(14(12)16)10-17-8-9-19-13-6-1-2-7-18-13;/h1-7,17H,8-10H2;1H
InChIKeyXVBVEYYUJMOXEX-UHFFFAOYSA-N
XLogP3.98
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.65
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride
CID 132892888
N-[(2-chlorophenyl)methyl]-2-pyridin-2-yloxyethanamine
CID 51370500
N-[[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-3-pyridin-2-yloxypropan-1-amine
CID 124869858
N-[[5-chloro-2-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526751
N-[(3,4-dichlorophenyl)methyl]-3-pyridin-2-yloxypropan-1-amine
CID 51051733
N-[(3-chloro-4-ethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride
CID 132897324
N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-pyridin-2-yloxyethanamine
CID 66526033
N-[[5-chloro-2-[(2-methylphenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine
CID 66526352
N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine
CID 66526021
N-(2-pyridin-2-yloxyethyl)propan-1-amine
CID 62348524
N-[(5-chloro-2-methoxyphenyl)methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526415
N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-pyridin-2-yloxyethanamine
CID 66535984

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride?
The IUPAC name of N-[(2,3-dichlorophenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride (CID 132896157) is N-[(2,3-dichlorophenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride?
The canonical SMILES for N-[(2,3-dichlorophenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride is Cl.Clc1cccc(CNCCOc2ccccn2)c1Cl.
What is the InChIKey of N-[(2,3-dichlorophenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride?
The InChIKey is XVBVEYYUJMOXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O.ClH/c15-12-5-3-4-11(14(12)16)10-17-8-9-19-13-6-1-2-7-18-13;/h1-7,17H,8-10H2;1H.
What are the key properties of N-[(2,3-dichlorophenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride?
N-[(2,3-dichlorophenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride has a molecular weight of 333.65 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride is sourced from PubChem (CID 132896157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).