N-[(2,6-dichlorophenyl)methyl]-1-(3-methyl-4-pyridinyl)methanamine

C14H14Cl2N2 — CID 114698965

IUPACN-[(2,6-dichlorophenyl)methyl]-1-(3-methyl-4-pyridinyl)methanamine
SMILESCc1cnccc1CNCc1c(Cl)cccc1Cl
InChIInChI=1S/C14H14Cl2N2/c1-10-7-17-6-5-11(10)8-18-9-12-13(15)3-2-4-14(12)16/h2-7,18H,8-9H2,1H3
InChIKeyQKLONHWYTKPYBU-UHFFFAOYSA-N
MW281.19 g/mol
LogP3.99
Rot. Bonds4

About N-[(2,6-dichlorophenyl)methyl]-1-(3-methyl-4-pyridinyl)methanamine

N-[(2,6-dichlorophenyl)methyl]-1-(3-methyl-4-pyridinyl)methanamine (PubChem CID 114698965) has the molecular formula C14H14Cl2N2 and a molecular weight of 281.19 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methyl]-1-(3-methyl-4-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methyl]-1-(3-methyl-4-pyridinyl)methanamine
PubChem CID114698965
Molecular FormulaC14H14Cl2N2
Molecular Weight281.19 g/mol
Exact Mass280.05
IUPAC NameN-[(2,6-dichlorophenyl)methyl]-1-(3-methyl-4-pyridinyl)methanamine
SMILESCc1cnccc1CNCc1c(Cl)cccc1Cl
InChIInChI=1S/C14H14Cl2N2/c1-10-7-17-6-5-11(10)8-18-9-12-13(15)3-2-4-14(12)16/h2-7,18H,8-9H2,1H3
InChIKeyQKLONHWYTKPYBU-UHFFFAOYSA-N
XLogP3.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methyl-4-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 114699720
2,4-dichloro-6-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol
CID 114698958
N-[(6-bromo-2-pyridinyl)methyl]-1-(3-methyl-4-pyridinyl)methanamine
CID 114698840
3-chloro-N-[(3-methyl-4-pyridinyl)methyl]pyridin-4-amine
CID 114700905
1-(2-chlorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]ethanamine
CID 114698542
N-[(2,6-dichlorophenyl)methyl]-1-pyridin-3-ylmethanamine chloride
CID 21233303
(E)-4-chloro-N-[(3-methyl-4-pyridinyl)methyl]but-2-en-1-amine
CID 114699496
2-amino-3-chloro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114698206
N-(2,3-dihydro-1H-indol-7-ylmethyl)-1-(3-methyl-4-pyridinyl)methanamine
CID 114699338
N-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-(3-methyl-4-pyridinyl)methanamine
CID 42532881
ethane;N-methyl-1-(3-methyl-4-pyridinyl)methanamine
CID 144800365
2-ethoxy-6-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol
CID 114698563

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methyl]-1-(3-methyl-4-pyridinyl)methanamine?
The IUPAC name of N-[(2,6-dichlorophenyl)methyl]-1-(3-methyl-4-pyridinyl)methanamine (CID 114698965) is N-[(2,6-dichlorophenyl)methyl]-1-(3-methyl-4-pyridinyl)methanamine.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methyl]-1-(3-methyl-4-pyridinyl)methanamine?
The canonical SMILES for N-[(2,6-dichlorophenyl)methyl]-1-(3-methyl-4-pyridinyl)methanamine is Cc1cnccc1CNCc1c(Cl)cccc1Cl.
What is the InChIKey of N-[(2,6-dichlorophenyl)methyl]-1-(3-methyl-4-pyridinyl)methanamine?
The InChIKey is QKLONHWYTKPYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2/c1-10-7-17-6-5-11(10)8-18-9-12-13(15)3-2-4-14(12)16/h2-7,18H,8-9H2,1H3.
What are the key properties of N-[(2,6-dichlorophenyl)methyl]-1-(3-methyl-4-pyridinyl)methanamine?
N-[(2,6-dichlorophenyl)methyl]-1-(3-methyl-4-pyridinyl)methanamine has a molecular weight of 281.19 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)methyl]-1-(3-methyl-4-pyridinyl)methanamine is sourced from PubChem (CID 114698965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).