4-(aminomethyl)-3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridin-2-amine

C12H13Cl2N3S — CID 107055274

IUPAC4-(aminomethyl)-3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridin-2-amine
SMILESCN(Cc1ccc(Cl)s1)c1nccc(CN)c1Cl
InChIInChI=1S/C12H13Cl2N3S/c1-17(7-9-2-3-10(13)18-9)12-11(14)8(6-15)4-5-16-12/h2-5H,6-7,15H2,1H3
InChIKeyXBMHTCORUZCUNQ-UHFFFAOYSA-N
MW302.23 g/mol
LogP3.55
Rot. Bonds4

About 4-(aminomethyl)-3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridin-2-amine

4-(aminomethyl)-3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridin-2-amine (PubChem CID 107055274) has the molecular formula C12H13Cl2N3S and a molecular weight of 302.23 g/mol. Its IUPAC name is 4-(aminomethyl)-3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridin-2-amine
PubChem CID107055274
Molecular FormulaC12H13Cl2N3S
Molecular Weight302.23 g/mol
Exact Mass301.02
IUPAC Name4-(aminomethyl)-3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridin-2-amine
SMILESCN(Cc1ccc(Cl)s1)c1nccc(CN)c1Cl
InChIInChI=1S/C12H13Cl2N3S/c1-17(7-9-2-3-10(13)18-9)12-11(14)8(6-15)4-5-16-12/h2-5H,6-7,15H2,1H3
InChIKeyXBMHTCORUZCUNQ-UHFFFAOYSA-N
XLogP3.55
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.23
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-3-chloro-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 107055137
3-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N,4-dimethylpyridin-2-amine
CID 106876765
4-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-methylpyridin-2-amine
CID 107055221
3-[(5-chlorothiophen-2-yl)methyl-methylamino]pyrazine-2-carboximidamide
CID 55104411
4-(aminomethyl)-3-chloro-N-(cyclopentylmethyl)-N-methylpyridin-2-amine
CID 107055552
4-(aminomethyl)-3-chloro-N-methyl-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 107055559
4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline
CID 61438708
4-(aminomethyl)-3-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-2-amine
CID 107055789
4-(aminomethyl)-N-butan-2-yl-3-chloro-N-methylpyridin-2-amine
CID 107055114
2-[2-(aminomethyl)phenyl]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylethanamine
CID 81322722
4-N-[(5-chlorothiophen-2-yl)methyl]-5-fluoro-4-N-methylpyrimidine-2,4-diamine
CID 80799680
5-bromo-4-N-[(5-chlorothiophen-2-yl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 80799071

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridin-2-amine?
The IUPAC name of 4-(aminomethyl)-3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridin-2-amine (CID 107055274) is 4-(aminomethyl)-3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 4-(aminomethyl)-3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 4-(aminomethyl)-3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridin-2-amine is CN(Cc1ccc(Cl)s1)c1nccc(CN)c1Cl.
What is the InChIKey of 4-(aminomethyl)-3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridin-2-amine?
The InChIKey is XBMHTCORUZCUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3S/c1-17(7-9-2-3-10(13)18-9)12-11(14)8(6-15)4-5-16-12/h2-5H,6-7,15H2,1H3.
What are the key properties of 4-(aminomethyl)-3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridin-2-amine?
4-(aminomethyl)-3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridin-2-amine has a molecular weight of 302.23 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 107055274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).