4-(chloromethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridin-2-amine

C12H12Cl2N2S — CID 61442160

IUPAC4-(chloromethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridin-2-amine
SMILESCN(Cc1ccc(Cl)s1)c1cc(CCl)ccn1
InChIInChI=1S/C12H12Cl2N2S/c1-16(8-10-2-3-11(14)17-10)12-6-9(7-13)4-5-15-12/h2-6H,7-8H2,1H3
InChIKeyLDVVWHZMPJCDBW-UHFFFAOYSA-N
MW287.22 g/mol
LogP4.17
Rot. Bonds4

About 4-(chloromethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridin-2-amine

4-(chloromethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridin-2-amine (PubChem CID 61442160) has the molecular formula C12H12Cl2N2S and a molecular weight of 287.22 g/mol. Its IUPAC name is 4-(chloromethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridin-2-amine
PubChem CID61442160
Molecular FormulaC12H12Cl2N2S
Molecular Weight287.22 g/mol
Exact Mass286.01
IUPAC Name4-(chloromethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridin-2-amine
SMILESCN(Cc1ccc(Cl)s1)c1cc(CCl)ccn1
InChIInChI=1S/C12H12Cl2N2S/c1-16(8-10-2-3-11(14)17-10)12-6-9(7-13)4-5-15-12/h2-6H,7-8H2,1H3
InChIKeyLDVVWHZMPJCDBW-UHFFFAOYSA-N
XLogP4.17
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.22
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102715602
4-(chloromethyl)-N-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 61255562
6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridin-2-amine
CID 63586888
2-(chloromethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N,4-dimethylaniline
CID 114054620
4-(chloromethyl)-N-[(3-methoxyphenyl)methyl]-N-methylpyridin-2-amine
CID 61418126
3-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N,4-dimethylpyridin-2-amine
CID 106876765
4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-2-carboxylic acid
CID 63883391
4-(aminomethyl)-3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridin-2-amine
CID 107055274
6-[(5-chlorothiophen-2-yl)methyl-methylamino]pyridine-3-carbothioamide
CID 61442067
N-[(5-chlorothiophen-2-yl)methyl]-6-(ethylaminomethyl)-N-methylpyridazin-3-amine
CID 62281503
5-(bromomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylpyridin-2-amine
CID 107081351
[2-[(2-chlorophenyl)methyl-methylamino]-4-pyridinyl]methanol
CID 61417390

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridin-2-amine?
The IUPAC name of 4-(chloromethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridin-2-amine (CID 61442160) is 4-(chloromethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 4-(chloromethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 4-(chloromethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridin-2-amine is CN(Cc1ccc(Cl)s1)c1cc(CCl)ccn1.
What is the InChIKey of 4-(chloromethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridin-2-amine?
The InChIKey is LDVVWHZMPJCDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2S/c1-16(8-10-2-3-11(14)17-10)12-6-9(7-13)4-5-15-12/h2-6H,7-8H2,1H3.
What are the key properties of 4-(chloromethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridin-2-amine?
4-(chloromethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridin-2-amine has a molecular weight of 287.22 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 61442160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).