(1R)-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-pyridin-2-ylethanamine

C15H15ClF2N2O — CID 81392405

IUPAC(1R)-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-pyridin-2-ylethanamine
SMILESC[C@@H](NCc1cc(Cl)ccc1OC(F)F)c1ccccn1
InChIInChI=1S/C15H15ClF2N2O/c1-10(13-4-2-3-7-19-13)20-9-11-8-12(16)5-6-14(11)21-15(17)18/h2-8,10,15,20H,9H2,1H3/t10-/m1/s1
InChIKeyCHUNUASYKPQRAG-SNVBAGLBSA-N
MW312.75 g/mol
LogP4.19
Rot. Bonds6

About (1R)-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-pyridin-2-ylethanamine

(1R)-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-pyridin-2-ylethanamine (PubChem CID 81392405) has the molecular formula C15H15ClF2N2O and a molecular weight of 312.75 g/mol. Its IUPAC name is (1R)-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-pyridin-2-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-pyridin-2-ylethanamine
PubChem CID81392405
Molecular FormulaC15H15ClF2N2O
Molecular Weight312.75 g/mol
Exact Mass312.08
IUPAC Name(1R)-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-pyridin-2-ylethanamine
SMILESC[C@@H](NCc1cc(Cl)ccc1OC(F)F)c1ccccn1
InChIInChI=1S/C15H15ClF2N2O/c1-10(13-4-2-3-7-19-13)20-9-11-8-12(16)5-6-14(11)21-15(17)18/h2-8,10,15,20H,9H2,1H3/t10-/m1/s1
InChIKeyCHUNUASYKPQRAG-SNVBAGLBSA-N
XLogP4.19
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-[(4-chloro-2-methylphenyl)methyl]-1-pyridin-2-ylethanamine
CID 104868538
1-[5-chloro-2-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 43214102
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]heptan-2-amine
CID 43778017
(1R)-N-[(4-chloro-2-nitrophenyl)methyl]-1-pyridin-2-ylethanamine
CID 81406489
N-[(2-chloro-4-fluorophenyl)methyl]-1-pyridin-2-ylethanamine
CID 43396923
2-(5-chloro-2-methoxyphenyl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 51648180
(1R)-1-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81407076
(1R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-pyridin-2-ylethanamine
CID 104930267
2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]-N-methylpropanamide
CID 61464183
(1S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-pyridin-2-ylethanamine
CID 78978043
(1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-pyridin-2-ylethanamine
CID 81402354
(1R)-N-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]-2-methyl-1-pyridin-2-ylpropan-1-amine
CID 97242263

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-pyridin-2-ylethanamine?
The IUPAC name of (1R)-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-pyridin-2-ylethanamine (CID 81392405) is (1R)-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-pyridin-2-ylethanamine.
What is the SMILES notation for (1R)-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-pyridin-2-ylethanamine?
The canonical SMILES for (1R)-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-pyridin-2-ylethanamine is C[C@@H](NCc1cc(Cl)ccc1OC(F)F)c1ccccn1.
What is the InChIKey of (1R)-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-pyridin-2-ylethanamine?
The InChIKey is CHUNUASYKPQRAG-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H15ClF2N2O/c1-10(13-4-2-3-7-19-13)20-9-11-8-12(16)5-6-14(11)21-15(17)18/h2-8,10,15,20H,9H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-pyridin-2-ylethanamine?
(1R)-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-pyridin-2-ylethanamine has a molecular weight of 312.75 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-pyridin-2-ylethanamine is sourced from PubChem (CID 81392405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).