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

C14H16Cl2N2O — CID 132892888

IUPACN-[(2-chlorophenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride
SMILESCl.Clc1ccccc1CNCCOc1ccccn1
InChIInChI=1S/C14H15ClN2O.ClH/c15-13-6-2-1-5-12(13)11-16-9-10-18-14-7-3-4-8-17-14;/h1-8,16H,9-11H2;1H
InChIKeyIPXXZPHCICFOKB-UHFFFAOYSA-N
MW299.20 g/mol
LogP3.33
Rot. Bonds6

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

N-[(2-chlorophenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride (PubChem CID 132892888) has the molecular formula C14H16Cl2N2O and a molecular weight of 299.20 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride
PubChem CID132892888
Molecular FormulaC14H16Cl2N2O
Molecular Weight299.20 g/mol
Exact Mass298.06
IUPAC NameN-[(2-chlorophenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride
SMILESCl.Clc1ccccc1CNCCOc1ccccn1
InChIInChI=1S/C14H15ClN2O.ClH/c15-13-6-2-1-5-12(13)11-16-9-10-18-14-7-3-4-8-17-14;/h1-8,16H,9-11H2;1H
InChIKeyIPXXZPHCICFOKB-UHFFFAOYSA-N
XLogP3.33
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.20
LogP ≤ 53.33
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
CID 51370500
N-[(2,3-dichlorophenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride
CID 132896157
N-[[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-3-pyridin-2-yloxypropan-1-amine
CID 124869858
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-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-pyridin-2-yloxyethanamine
CID 66535984
N-[(3-chloro-4-ethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride
CID 132897324
N-[[5-chloro-2-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]-3-pyridin-2-yloxypropan-1-amine
CID 66526751
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

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride (CID 132892888) is N-[(2-chlorophenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride is Cl.Clc1ccccc1CNCCOc1ccccn1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride?
The InChIKey is IPXXZPHCICFOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O.ClH/c15-13-6-2-1-5-12(13)11-16-9-10-18-14-7-3-4-8-17-14;/h1-8,16H,9-11H2;1H.
What are the key properties of N-[(2-chlorophenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride?
N-[(2-chlorophenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride has a molecular weight of 299.20 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride is sourced from PubChem (CID 132892888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).