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

C14H15ClN2O — CID 51370500

IUPACN-[(2-chlorophenyl)methyl]-2-pyridin-2-yloxyethanamine
SMILESClc1ccccc1CNCCOc1ccccn1
InChIInChI=1S/C14H15ClN2O/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
InChIKeyWPQWUDRROZZXHN-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.90
Rot. Bonds6

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

N-[(2-chlorophenyl)methyl]-2-pyridin-2-yloxyethanamine (PubChem CID 51370500) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-pyridin-2-yloxyethanamine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-pyridin-2-yloxyethanamine
PubChem CID51370500
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC NameN-[(2-chlorophenyl)methyl]-2-pyridin-2-yloxyethanamine
SMILESClc1ccccc1CNCCOc1ccccn1
InChIInChI=1S/C14H15ClN2O/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
InChIKeyWPQWUDRROZZXHN-UHFFFAOYSA-N
XLogP2.90
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.90
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-[(2,3-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-[[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
N-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-2-pyridin-2-yloxyethanamine
CID 66525916

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-pyridin-2-yloxyethanamine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-pyridin-2-yloxyethanamine (CID 51370500) is N-[(2-chlorophenyl)methyl]-2-pyridin-2-yloxyethanamine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-pyridin-2-yloxyethanamine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-pyridin-2-yloxyethanamine is Clc1ccccc1CNCCOc1ccccn1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-pyridin-2-yloxyethanamine?
The InChIKey is WPQWUDRROZZXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/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.
What are the key properties of N-[(2-chlorophenyl)methyl]-2-pyridin-2-yloxyethanamine?
N-[(2-chlorophenyl)methyl]-2-pyridin-2-yloxyethanamine has a molecular weight of 262.74 g/mol, XLogP of 2.90, 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 is sourced from PubChem (CID 51370500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).