4-(aminomethyl)-3-chloro-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine

C12H14ClN3S — CID 107055137

IUPAC4-(aminomethyl)-3-chloro-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
SMILESCN(Cc1ccsc1)c1nccc(CN)c1Cl
InChIInChI=1S/C12H14ClN3S/c1-16(7-9-3-5-17-8-9)12-11(13)10(6-14)2-4-15-12/h2-5,8H,6-7,14H2,1H3
InChIKeyFARHHTJLMBERMJ-UHFFFAOYSA-N
MW267.79 g/mol
LogP2.89
Rot. Bonds4

About 4-(aminomethyl)-3-chloro-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine

4-(aminomethyl)-3-chloro-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine (PubChem CID 107055137) has the molecular formula C12H14ClN3S and a molecular weight of 267.79 g/mol. Its IUPAC name is 4-(aminomethyl)-3-chloro-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-3-chloro-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
PubChem CID107055137
Molecular FormulaC12H14ClN3S
Molecular Weight267.79 g/mol
Exact Mass267.06
IUPAC Name4-(aminomethyl)-3-chloro-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
SMILESCN(Cc1ccsc1)c1nccc(CN)c1Cl
InChIInChI=1S/C12H14ClN3S/c1-16(7-9-3-5-17-8-9)12-11(13)10(6-14)2-4-15-12/h2-5,8H,6-7,14H2,1H3
InChIKeyFARHHTJLMBERMJ-UHFFFAOYSA-N
XLogP2.89
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.79
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-3-chloro-N-cyclopropyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 107055267
3-chloro-N'-hydroxy-2-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carboximidamide
CID 136739301
4-(aminomethyl)-3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridin-2-amine
CID 107055274
4-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-methylpyridin-2-amine
CID 107055221
3-(ethylaminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 62278909
N-methyl-3-[(propan-2-ylamino)methyl]-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 62278910
4-(aminomethyl)-3-chloro-N-(cyclopentylmethyl)-N-methylpyridin-2-amine
CID 107055552
6-chloro-5-ethyl-N-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 63730106
4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-3-fluoro-N-methylpyridin-2-amine
CID 105389320
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
3-(aminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridin-2-amine
CID 43528424

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-chloro-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine?
The IUPAC name of 4-(aminomethyl)-3-chloro-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine (CID 107055137) is 4-(aminomethyl)-3-chloro-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 4-(aminomethyl)-3-chloro-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine?
The canonical SMILES for 4-(aminomethyl)-3-chloro-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine is CN(Cc1ccsc1)c1nccc(CN)c1Cl.
What is the InChIKey of 4-(aminomethyl)-3-chloro-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine?
The InChIKey is FARHHTJLMBERMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3S/c1-16(7-9-3-5-17-8-9)12-11(13)10(6-14)2-4-15-12/h2-5,8H,6-7,14H2,1H3.
What are the key properties of 4-(aminomethyl)-3-chloro-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine?
4-(aminomethyl)-3-chloro-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine has a molecular weight of 267.79 g/mol, XLogP of 2.89, 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-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 107055137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).