N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-(6-methyl-2-pyridinyl)methanamine

C15H15ClF2N2O — CID 60960466

IUPACN-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-(6-methyl-2-pyridinyl)methanamine
SMILESCc1cccc(CNCc2cc(Cl)ccc2OC(F)F)n1
InChIInChI=1S/C15H15ClF2N2O/c1-10-3-2-4-13(20-10)9-19-8-11-7-12(16)5-6-14(11)21-15(17)18/h2-7,15,19H,8-9H2,1H3
InChIKeyMCBDDFKALMSXJZ-UHFFFAOYSA-N
MW312.75 g/mol
LogP3.93
Rot. Bonds6

About N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-(6-methyl-2-pyridinyl)methanamine

N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-(6-methyl-2-pyridinyl)methanamine (PubChem CID 60960466) has the molecular formula C15H15ClF2N2O and a molecular weight of 312.75 g/mol. Its IUPAC name is N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-(6-methyl-2-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-(6-methyl-2-pyridinyl)methanamine
PubChem CID60960466
Molecular FormulaC15H15ClF2N2O
Molecular Weight312.75 g/mol
Exact Mass312.08
IUPAC NameN-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-(6-methyl-2-pyridinyl)methanamine
SMILESCc1cccc(CNCc2cc(Cl)ccc2OC(F)F)n1
InChIInChI=1S/C15H15ClF2N2O/c1-10-3-2-4-13(20-10)9-19-8-11-7-12(16)5-6-14(11)21-15(17)18/h2-7,15,19H,8-9H2,1H3
InChIKeyMCBDDFKALMSXJZ-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine
CID 60962067
2-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-ethyl-3-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 111709219
1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 78895511
1-[5-chloro-2-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 43214102
2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]ethanol
CID 43424974
1-[5-chloro-2-(difluoromethoxy)phenyl]-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]methanamine
CID 154743926
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylbutan-1-amine
CID 43234453
1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 111708814
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-methylbutan-1-amine
CID 62693915
1-(3-chlorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 60962175
1-(6-methyl-2-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 15491901
2-chloro-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]prop-2-en-1-amine
CID 115702536

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-(6-methyl-2-pyridinyl)methanamine?
The IUPAC name of N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-(6-methyl-2-pyridinyl)methanamine (CID 60960466) is N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-(6-methyl-2-pyridinyl)methanamine.
What is the SMILES notation for N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-(6-methyl-2-pyridinyl)methanamine?
The canonical SMILES for N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-(6-methyl-2-pyridinyl)methanamine is Cc1cccc(CNCc2cc(Cl)ccc2OC(F)F)n1.
What is the InChIKey of N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-(6-methyl-2-pyridinyl)methanamine?
The InChIKey is MCBDDFKALMSXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF2N2O/c1-10-3-2-4-13(20-10)9-19-8-11-7-12(16)5-6-14(11)21-15(17)18/h2-7,15,19H,8-9H2,1H3.
What are the key properties of N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-(6-methyl-2-pyridinyl)methanamine?
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-(6-methyl-2-pyridinyl)methanamine has a molecular weight of 312.75 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-(6-methyl-2-pyridinyl)methanamine is sourced from PubChem (CID 60960466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).