N-[(2,4-dichlorophenyl)methyl]pyridin-3-amine;dihydrochloride

C12H12Cl4N2 — CID 71432381

IUPACN-[(2,4-dichlorophenyl)methyl]pyridin-3-amine;dihydrochloride
SMILESCl.Cl.Clc1ccc(CNc2cccnc2)c(Cl)c1
InChIInChI=1S/C12H10Cl2N2.2ClH/c13-10-4-3-9(12(14)6-10)7-16-11-2-1-5-15-8-11;;/h1-6,8,16H,7H2;2*1H
InChIKeyLUJWTGAPICNZCX-UHFFFAOYSA-N
MW326.05 g/mol
LogP4.84
Rot. Bonds3

About N-[(2,4-dichlorophenyl)methyl]pyridin-3-amine;dihydrochloride

N-[(2,4-dichlorophenyl)methyl]pyridin-3-amine;dihydrochloride (PubChem CID 71432381) has the molecular formula C12H12Cl4N2 and a molecular weight of 326.05 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]pyridin-3-amine;dihydrochloride.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]pyridin-3-amine;dihydrochloride
PubChem CID71432381
Molecular FormulaC12H12Cl4N2
Molecular Weight326.05 g/mol
Exact Mass323.98
IUPAC NameN-[(2,4-dichlorophenyl)methyl]pyridin-3-amine;dihydrochloride
SMILESCl.Cl.Clc1ccc(CNc2cccnc2)c(Cl)c1
InChIInChI=1S/C12H10Cl2N2.2ClH/c13-10-4-3-9(12(14)6-10)7-16-11-2-1-5-15-8-11;;/h1-6,8,16H,7H2;2*1H
InChIKeyLUJWTGAPICNZCX-UHFFFAOYSA-N
XLogP4.84
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.05
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]pyridin-3-amine
CID 54905217
1-(2,4-dichlorophenyl)-3-pyridin-3-ylurea
CID 3994543
N-[(2,4-dichlorophenyl)methyl]-3-pyrazol-1-ylaniline
CID 43739948
N-[(2,4-dichlorophenyl)methyl]-3-ethynylaniline
CID 30055580
2,4-dichloro-N-[(2,4-dichlorophenyl)methyl]aniline
CID 13339999
N-[(2,4-dichlorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrimidin-2-amine
CID 24951407
2-[3-[(2,4-dichlorophenyl)methylamino]phenoxy]acetonitrile
CID 43721151
N-[(5-chlorofuran-2-yl)methyl]pyridin-3-amine
CID 60769761
N-benzylpyridin-3-amine;dihydrochloride
CID 71432393
N-[(2,4-dichlorophenyl)methyl]-1-methylindazol-6-amine
CID 59514308
[1-(2,4-dichlorophenyl)-3-pyridin-3-ylpropan-2-yl]hydrazine
CID 105200159
N-[(2,4-dichlorophenyl)methyl]-2-methoxypyridin-3-amine
CID 43721777

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]pyridin-3-amine;dihydrochloride?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]pyridin-3-amine;dihydrochloride (CID 71432381) is N-[(2,4-dichlorophenyl)methyl]pyridin-3-amine;dihydrochloride.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]pyridin-3-amine;dihydrochloride?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]pyridin-3-amine;dihydrochloride is Cl.Cl.Clc1ccc(CNc2cccnc2)c(Cl)c1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]pyridin-3-amine;dihydrochloride?
The InChIKey is LUJWTGAPICNZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2.2ClH/c13-10-4-3-9(12(14)6-10)7-16-11-2-1-5-15-8-11;;/h1-6,8,16H,7H2;2*1H.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]pyridin-3-amine;dihydrochloride?
N-[(2,4-dichlorophenyl)methyl]pyridin-3-amine;dihydrochloride has a molecular weight of 326.05 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]pyridin-3-amine;dihydrochloride is sourced from PubChem (CID 71432381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).