N-[(6-chloro-3-pyridinyl)methyl]-1-[4-(difluoromethoxy)phenyl]-N-methylmethanamine

C15H15ClF2N2O — CID 134038318

IUPACN-[(6-chloro-3-pyridinyl)methyl]-1-[4-(difluoromethoxy)phenyl]-N-methylmethanamine
SMILESCN(Cc1ccc(OC(F)F)cc1)Cc1ccc(Cl)nc1
InChIInChI=1S/C15H15ClF2N2O/c1-20(10-12-4-7-14(16)19-8-12)9-11-2-5-13(6-3-11)21-15(17)18/h2-8,15H,9-10H2,1H3
InChIKeyMFOIWXNEUQYOOE-UHFFFAOYSA-N
MW312.75 g/mol
LogP3.97
Rot. Bonds6

About N-[(6-chloro-3-pyridinyl)methyl]-1-[4-(difluoromethoxy)phenyl]-N-methylmethanamine

N-[(6-chloro-3-pyridinyl)methyl]-1-[4-(difluoromethoxy)phenyl]-N-methylmethanamine (PubChem CID 134038318) has the molecular formula C15H15ClF2N2O and a molecular weight of 312.75 g/mol. Its IUPAC name is N-[(6-chloro-3-pyridinyl)methyl]-1-[4-(difluoromethoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(6-chloro-3-pyridinyl)methyl]-1-[4-(difluoromethoxy)phenyl]-N-methylmethanamine
PubChem CID134038318
Molecular FormulaC15H15ClF2N2O
Molecular Weight312.75 g/mol
Exact Mass312.08
IUPAC NameN-[(6-chloro-3-pyridinyl)methyl]-1-[4-(difluoromethoxy)phenyl]-N-methylmethanamine
SMILESCN(Cc1ccc(OC(F)F)cc1)Cc1ccc(Cl)nc1
InChIInChI=1S/C15H15ClF2N2O/c1-20(10-12-4-7-14(16)19-8-12)9-11-2-5-13(6-3-11)21-15(17)18/h2-8,15H,9-10H2,1H3
InChIKeyMFOIWXNEUQYOOE-UHFFFAOYSA-N
XLogP3.97
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

CID 735606
CID 735606
CID 2960264
CID 2960264
CID 834002
CID 834002
CID 11601561
CID 11601561
CID 5375966
CID 5375966
CID 2777785
CID 2777785
CID 220239
CID 220239
CID 10770350
CID 10770350
CID 12717118
CID 12717118
CID 44298507
CID 44298507
CID 44449267
CID 44449267
CID 44449272
CID 44449272

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-1-[4-(difluoromethoxy)phenyl]-N-methylmethanamine?
The IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-1-[4-(difluoromethoxy)phenyl]-N-methylmethanamine (CID 134038318) is N-[(6-chloro-3-pyridinyl)methyl]-1-[4-(difluoromethoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for N-[(6-chloro-3-pyridinyl)methyl]-1-[4-(difluoromethoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for N-[(6-chloro-3-pyridinyl)methyl]-1-[4-(difluoromethoxy)phenyl]-N-methylmethanamine is CN(Cc1ccc(OC(F)F)cc1)Cc1ccc(Cl)nc1.
What is the InChIKey of N-[(6-chloro-3-pyridinyl)methyl]-1-[4-(difluoromethoxy)phenyl]-N-methylmethanamine?
The InChIKey is MFOIWXNEUQYOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF2N2O/c1-20(10-12-4-7-14(16)19-8-12)9-11-2-5-13(6-3-11)21-15(17)18/h2-8,15H,9-10H2,1H3.
What are the key properties of N-[(6-chloro-3-pyridinyl)methyl]-1-[4-(difluoromethoxy)phenyl]-N-methylmethanamine?
N-[(6-chloro-3-pyridinyl)methyl]-1-[4-(difluoromethoxy)phenyl]-N-methylmethanamine has a molecular weight of 312.75 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-3-pyridinyl)methyl]-1-[4-(difluoromethoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 134038318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).