N-[(3,5-dichlorophenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine

C14H14Cl2N2O — CID 60859308

IUPACN-[(3,5-dichlorophenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine
SMILESCOc1ncccc1CNCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H14Cl2N2O/c1-19-14-11(3-2-4-18-14)9-17-8-10-5-12(15)7-13(16)6-10/h2-7,17H,8-9H2,1H3
InChIKeyQZFVGONKNYNEPX-UHFFFAOYSA-N
MW297.19 g/mol
LogP3.69
Rot. Bonds5

About N-[(3,5-dichlorophenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine

N-[(3,5-dichlorophenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine (PubChem CID 60859308) has the molecular formula C14H14Cl2N2O and a molecular weight of 297.19 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine
PubChem CID60859308
Molecular FormulaC14H14Cl2N2O
Molecular Weight297.19 g/mol
Exact Mass296.05
IUPAC NameN-[(3,5-dichlorophenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine
SMILESCOc1ncccc1CNCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H14Cl2N2O/c1-19-14-11(3-2-4-18-14)9-17-8-10-5-12(15)7-13(16)6-10/h2-7,17H,8-9H2,1H3
InChIKeyQZFVGONKNYNEPX-UHFFFAOYSA-N
XLogP3.69
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine
CID 54920418
1-(3-chloro-4-methoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine
CID 65021941
N-[(3,5-dichlorophenyl)methyl]-1-quinolin-8-ylmethanamine
CID 78980821
3-[[(2-methoxy-3-pyridinyl)methylamino]methyl]benzoic acid
CID 103230071
N-[(4-chloro-2-nitrophenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine
CID 62102245
N-[(2,5-dimethoxyphenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine
CID 60761595
4-[[(2-methoxy-3-pyridinyl)methylamino]methyl]benzene-1,3-diol
CID 54926945
N-[[2-[(3-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 65125486
2-[2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenyl]acetic acid
CID 115461656
1-(2,3-dimethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine
CID 60761596
(2S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylbutan-1-amine
CID 93316989
N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine
CID 102876282

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine?
The IUPAC name of N-[(3,5-dichlorophenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine (CID 60859308) is N-[(3,5-dichlorophenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine.
What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine?
The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine is COc1ncccc1CNCc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine?
The InChIKey is QZFVGONKNYNEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O/c1-19-14-11(3-2-4-18-14)9-17-8-10-5-12(15)7-13(16)6-10/h2-7,17H,8-9H2,1H3.
What are the key properties of N-[(3,5-dichlorophenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine?
N-[(3,5-dichlorophenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine has a molecular weight of 297.19 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine is sourced from PubChem (CID 60859308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).