(3,5-dichlorophenyl)-(6-methyl-3-pyridinyl)methanamine

C13H12Cl2N2 — CID 115854907

IUPAC(3,5-dichlorophenyl)-(6-methyl-3-pyridinyl)methanamine
SMILESCc1ccc(C(N)c2cc(Cl)cc(Cl)c2)cn1
InChIInChI=1S/C13H12Cl2N2/c1-8-2-3-9(7-17-8)13(16)10-4-11(14)6-12(15)5-10/h2-7,13H,16H2,1H3
InChIKeyUNBUBUAWRBAAIR-UHFFFAOYSA-N
MW267.16 g/mol
LogP3.74
Rot. Bonds2

About (3,5-dichlorophenyl)-(6-methyl-3-pyridinyl)methanamine

(3,5-dichlorophenyl)-(6-methyl-3-pyridinyl)methanamine (PubChem CID 115854907) has the molecular formula C13H12Cl2N2 and a molecular weight of 267.16 g/mol. Its IUPAC name is (3,5-dichlorophenyl)-(6-methyl-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(3,5-dichlorophenyl)-(6-methyl-3-pyridinyl)methanamine
PubChem CID115854907
Molecular FormulaC13H12Cl2N2
Molecular Weight267.16 g/mol
Exact Mass266.04
IUPAC Name(3,5-dichlorophenyl)-(6-methyl-3-pyridinyl)methanamine
SMILESCc1ccc(C(N)c2cc(Cl)cc(Cl)c2)cn1
InChIInChI=1S/C13H12Cl2N2/c1-8-2-3-9(7-17-8)13(16)10-4-11(14)6-12(15)5-10/h2-7,13H,16H2,1H3
InChIKeyUNBUBUAWRBAAIR-UHFFFAOYSA-N
XLogP3.74
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6-methyl-3-pyridinyl)-(4-propan-2-ylphenyl)methanamine
CID 55164666
(3-methylphenyl)-(6-methyl-3-pyridinyl)methanamine
CID 63156097
(3-fluoro-4-methylphenyl)-(6-methyl-3-pyridinyl)methanamine
CID 63156098
(6-bromonaphthalen-2-yl)-(6-methyl-3-pyridinyl)methanamine
CID 115855045
(3,5-dichlorophenyl)-(5-methyl-3-pyridinyl)methanamine
CID 105023142
3-[amino-(6-methyl-3-pyridinyl)methyl]-N,N-dimethylaniline
CID 105146180
(6-methyl-3-pyridinyl)-quinolin-6-ylmethanamine
CID 63155973
2-(2,6-dichlorophenyl)-1-(6-methyl-3-pyridinyl)ethanamine
CID 63155828
(3-ethoxyphenyl)-(6-methyl-3-pyridinyl)methanamine
CID 63156095
(2S)-2-amino-2-(6-methyl-3-pyridinyl)ethanol;dihydrochloride
CID 67034159
2-(2-chlorophenyl)-1-(6-methyl-3-pyridinyl)ethanamine
CID 55166211
(6-methyl-3-pyridinyl)-(thiadiazol-5-yl)methanamine
CID 105146287

Frequently Asked Questions

What is the IUPAC name of (3,5-dichlorophenyl)-(6-methyl-3-pyridinyl)methanamine?
The IUPAC name of (3,5-dichlorophenyl)-(6-methyl-3-pyridinyl)methanamine (CID 115854907) is (3,5-dichlorophenyl)-(6-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for (3,5-dichlorophenyl)-(6-methyl-3-pyridinyl)methanamine?
The canonical SMILES for (3,5-dichlorophenyl)-(6-methyl-3-pyridinyl)methanamine is Cc1ccc(C(N)c2cc(Cl)cc(Cl)c2)cn1.
What is the InChIKey of (3,5-dichlorophenyl)-(6-methyl-3-pyridinyl)methanamine?
The InChIKey is UNBUBUAWRBAAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2/c1-8-2-3-9(7-17-8)13(16)10-4-11(14)6-12(15)5-10/h2-7,13H,16H2,1H3.
What are the key properties of (3,5-dichlorophenyl)-(6-methyl-3-pyridinyl)methanamine?
(3,5-dichlorophenyl)-(6-methyl-3-pyridinyl)methanamine has a molecular weight of 267.16 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichlorophenyl)-(6-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 115854907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).