1-(2,5-difluorophenyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine

C15H16F2N2O2 — CID 103172479

IUPAC1-(2,5-difluorophenyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine
SMILESCOc1ccnc(CNCc2cc(F)ccc2F)c1OC
InChIInChI=1S/C15H16F2N2O2/c1-20-14-5-6-19-13(15(14)21-2)9-18-8-10-7-11(16)3-4-12(10)17/h3-7,18H,8-9H2,1-2H3
InChIKeyZFISWBCDWWYJQX-UHFFFAOYSA-N
MW294.30 g/mol
LogP2.67
Rot. Bonds6

About 1-(2,5-difluorophenyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine

1-(2,5-difluorophenyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine (PubChem CID 103172479) has the molecular formula C15H16F2N2O2 and a molecular weight of 294.30 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine
PubChem CID103172479
Molecular FormulaC15H16F2N2O2
Molecular Weight294.30 g/mol
Exact Mass294.12
IUPAC Name1-(2,5-difluorophenyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine
SMILESCOc1ccnc(CNCc2cc(F)ccc2F)c1OC
InChIInChI=1S/C15H16F2N2O2/c1-20-14-5-6-19-13(15(14)21-2)9-18-8-10-7-11(16)3-4-12(10)17/h3-7,18H,8-9H2,1-2H3
InChIKeyZFISWBCDWWYJQX-UHFFFAOYSA-N
XLogP2.67
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-(4-fluorophenyl)ethanamine
CID 103172132
1-(2-bromophenyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine
CID 103172321
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(3-ethyl-2-pyridinyl)methanamine
CID 103172673
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(4-methylphenyl)methanamine
CID 103172192
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-fluoro-5-methylaniline
CID 103172567
2,6-dichloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-fluoroaniline
CID 103172686
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2,6-difluoro-3-methylaniline
CID 103172675
1-(3,4-dimethoxy-2-pyridinyl)-N-methoxymethanamine
CID 103172527
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylprop-2-en-1-amine
CID 103172790
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2,3,3-trimethylbutan-1-amine
CID 103172692
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(furan-3-yl)methanamine
CID 103172772
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methoxy-2-methylpropan-1-amine
CID 103172410

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine?
The IUPAC name of 1-(2,5-difluorophenyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine (CID 103172479) is 1-(2,5-difluorophenyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine?
The canonical SMILES for 1-(2,5-difluorophenyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine is COc1ccnc(CNCc2cc(F)ccc2F)c1OC.
What is the InChIKey of 1-(2,5-difluorophenyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine?
The InChIKey is ZFISWBCDWWYJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O2/c1-20-14-5-6-19-13(15(14)21-2)9-18-8-10-7-11(16)3-4-12(10)17/h3-7,18H,8-9H2,1-2H3.
What are the key properties of 1-(2,5-difluorophenyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine?
1-(2,5-difluorophenyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine has a molecular weight of 294.30 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine is sourced from PubChem (CID 103172479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).