N-[(4-chlorophenyl)methoxy]-1,2,3,6-tetrahydropyridin-4-amine

C12H15ClN2O — CID 57208334

IUPACN-[(4-chlorophenyl)methoxy]-1,2,3,6-tetrahydropyridin-4-amine
SMILESClc1ccc(CONC2=CCNCC2)cc1
InChIInChI=1S/C12H15ClN2O/c13-11-3-1-10(2-4-11)9-16-15-12-5-7-14-8-6-12/h1-5,14-15H,6-9H2
InChIKeyPGKUDIXIXOSCDK-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.24
Rot. Bonds4

About N-[(4-chlorophenyl)methoxy]-1,2,3,6-tetrahydropyridin-4-amine

N-[(4-chlorophenyl)methoxy]-1,2,3,6-tetrahydropyridin-4-amine (PubChem CID 57208334) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methoxy]-1,2,3,6-tetrahydropyridin-4-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methoxy]-1,2,3,6-tetrahydropyridin-4-amine
PubChem CID57208334
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC NameN-[(4-chlorophenyl)methoxy]-1,2,3,6-tetrahydropyridin-4-amine
SMILESClc1ccc(CONC2=CCNCC2)cc1
InChIInChI=1S/C12H15ClN2O/c13-11-3-1-10(2-4-11)9-16-15-12-5-7-14-8-6-12/h1-5,14-15H,6-9H2
InChIKeyPGKUDIXIXOSCDK-UHFFFAOYSA-N
XLogP2.24
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(3-chlorophenyl)methoxy]propane-1,3-diamine
CID 134926832
N'-[(4-chlorophenyl)methoxy]propane-1,3-diamine
CID 134994315
N-[(4-chlorophenyl)methoxy]piperidin-4-imine
CID 21259128
N-[(4-Chlorophenyl)methoxy]-2-propanamine
CID 21740256
N-[(2-chlorophenyl)methoxy]-1,4-dihydropyrimidin-5-amine
CID 57100584
tert-butyl 4-[(4-chlorophenyl)methoxyamino]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 57181196
N-phenylmethoxy-1,2,3,6-tetrahydropyridin-4-amine
CID 57189109
1-tert-butyl-N-[(4-chlorophenyl)methoxy]-3,6-dihydro-2H-pyridin-4-amine
CID 57212855
1-[(4-Chlorophenyl)methoxy]-2,2,6,6-tetramethylpiperidin-4-amine
CID 58420805
N-[(4-chlorophenyl)methoxy]ethenamine
CID 91065687
1-[(2-chlorophenyl)methoxy]-2H-pyridine-2,5,6-triamine
CID 126648825
N-[(4-chlorophenyl)methoxy]-1,4-dihydropyrimidin-2-amine
CID 142650597

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methoxy]-1,2,3,6-tetrahydropyridin-4-amine?
The IUPAC name of N-[(4-chlorophenyl)methoxy]-1,2,3,6-tetrahydropyridin-4-amine (CID 57208334) is N-[(4-chlorophenyl)methoxy]-1,2,3,6-tetrahydropyridin-4-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methoxy]-1,2,3,6-tetrahydropyridin-4-amine?
The canonical SMILES for N-[(4-chlorophenyl)methoxy]-1,2,3,6-tetrahydropyridin-4-amine is Clc1ccc(CONC2=CCNCC2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methoxy]-1,2,3,6-tetrahydropyridin-4-amine?
The InChIKey is PGKUDIXIXOSCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c13-11-3-1-10(2-4-11)9-16-15-12-5-7-14-8-6-12/h1-5,14-15H,6-9H2.
What are the key properties of N-[(4-chlorophenyl)methoxy]-1,2,3,6-tetrahydropyridin-4-amine?
N-[(4-chlorophenyl)methoxy]-1,2,3,6-tetrahydropyridin-4-amine has a molecular weight of 238.72 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methoxy]-1,2,3,6-tetrahydropyridin-4-amine is sourced from PubChem (CID 57208334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).