N-[(2,6-dichlorophenyl)methyl]-1-pyridin-3-ylmethanamine chloride

C13H12Cl3N2- — CID 21233303

IUPACN-[(2,6-dichlorophenyl)methyl]-1-pyridin-3-ylmethanamine chloride
SMILESClc1cccc(Cl)c1CNCc1cccnc1.[Cl-]
InChIInChI=1S/C13H12Cl2N2.ClH/c14-12-4-1-5-13(15)11(12)9-17-8-10-3-2-6-16-7-10;/h1-7,17H,8-9H2;1H/p-1
InChIKeyFJSZBVUABHYUQA-UHFFFAOYSA-M
MW302.61 g/mol
LogP0.68
Rot. Bonds4

About N-[(2,6-dichlorophenyl)methyl]-1-pyridin-3-ylmethanamine chloride

N-[(2,6-dichlorophenyl)methyl]-1-pyridin-3-ylmethanamine chloride (PubChem CID 21233303) has the molecular formula C13H12Cl3N2- and a molecular weight of 302.61 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methyl]-1-pyridin-3-ylmethanamine chloride.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methyl]-1-pyridin-3-ylmethanamine chloride
PubChem CID21233303
Molecular FormulaC13H12Cl3N2-
Molecular Weight302.61 g/mol
Exact Mass301.01
IUPAC NameN-[(2,6-dichlorophenyl)methyl]-1-pyridin-3-ylmethanamine chloride
SMILESClc1cccc(Cl)c1CNCc1cccnc1.[Cl-]
InChIInChI=1S/C13H12Cl2N2.ClH/c14-12-4-1-5-13(15)11(12)9-17-8-10-3-2-6-16-7-10;/h1-7,17H,8-9H2;1H/p-1
InChIKeyFJSZBVUABHYUQA-UHFFFAOYSA-M
XLogP0.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.61
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-1-pyridin-3-ylmethanamine;hydrochloride
CID 154879239
2,6-dichloro-N-(pyridin-3-ylmethyl)aniline
CID 913968
N-[(3,5-dichlorophenyl)methyl]-1-pyridin-3-ylmethanamine
CID 54803200
1-pyridin-4-yl-N-(pyridin-3-ylmethyl)methanamine;dihydrochloride
CID 163329891
3-(2,6-dichlorophenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 100600054
N-(pyridin-3-ylmethyl)propan-1-amine;yttrium
CID 59057937
N-[[2-chloro-6-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 114319478
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-pyridin-3-ylmethanamine
CID 4721935
N-[[2-chloro-6-(pyridin-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 114319988
3-chloro-N-methyl-2-(propylaminomethyl)-N-(pyridin-3-ylmethyl)aniline
CID 43563633
2-(3-chloro-2-fluorophenoxy)-N-(pyridin-3-ylmethyl)ethanamine
CID 116690528
1-phenyl-N-(pyridin-3-ylmethyl)methanamine;N-(pyridin-3-ylmethyl)ethanamine
CID 174270590

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methyl]-1-pyridin-3-ylmethanamine chloride?
The IUPAC name of N-[(2,6-dichlorophenyl)methyl]-1-pyridin-3-ylmethanamine chloride (CID 21233303) is N-[(2,6-dichlorophenyl)methyl]-1-pyridin-3-ylmethanamine chloride.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methyl]-1-pyridin-3-ylmethanamine chloride?
The canonical SMILES for N-[(2,6-dichlorophenyl)methyl]-1-pyridin-3-ylmethanamine chloride is Clc1cccc(Cl)c1CNCc1cccnc1.[Cl-].
What is the InChIKey of N-[(2,6-dichlorophenyl)methyl]-1-pyridin-3-ylmethanamine chloride?
The InChIKey is FJSZBVUABHYUQA-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H12Cl2N2.ClH/c14-12-4-1-5-13(15)11(12)9-17-8-10-3-2-6-16-7-10;/h1-7,17H,8-9H2;1H/p-1.
What are the key properties of N-[(2,6-dichlorophenyl)methyl]-1-pyridin-3-ylmethanamine chloride?
N-[(2,6-dichlorophenyl)methyl]-1-pyridin-3-ylmethanamine chloride has a molecular weight of 302.61 g/mol, XLogP of 0.68, 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-pyridin-3-ylmethanamine chloride is sourced from PubChem (CID 21233303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).