2-[(thiophen-3-ylmethylamino)methyl]quinolin-4-amine

C15H15N3S — CID 115485883

IUPAC2-[(thiophen-3-ylmethylamino)methyl]quinolin-4-amine
SMILESNc1cc(CNCc2ccsc2)nc2ccccc12
InChIInChI=1S/C15H15N3S/c16-14-7-12(9-17-8-11-5-6-19-10-11)18-15-4-2-1-3-13(14)15/h1-7,10,17H,8-9H2,(H2,16,18)
InChIKeyICIMLDZGUULOFI-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.17
Rot. Bonds4

About 2-[(thiophen-3-ylmethylamino)methyl]quinolin-4-amine

2-[(thiophen-3-ylmethylamino)methyl]quinolin-4-amine (PubChem CID 115485883) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-[(thiophen-3-ylmethylamino)methyl]quinolin-4-amine.

Molecular Properties

Compound Name2-[(thiophen-3-ylmethylamino)methyl]quinolin-4-amine
PubChem CID115485883
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name2-[(thiophen-3-ylmethylamino)methyl]quinolin-4-amine
SMILESNc1cc(CNCc2ccsc2)nc2ccccc12
InChIInChI=1S/C15H15N3S/c16-14-7-12(9-17-8-11-5-6-19-10-11)18-15-4-2-1-3-13(14)15/h1-7,10,17H,8-9H2,(H2,16,18)
InChIKeyICIMLDZGUULOFI-UHFFFAOYSA-N
XLogP3.17
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5,5,5-trifluoropentylamino)methyl]quinolin-4-amine
CID 115520378
2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]quinolin-4-amine
CID 115485916
2,6-dichloro-4-[(thiophen-3-ylmethylamino)methyl]aniline
CID 82841230
2-(methoxymethyl)quinolin-4-amine
CID 62320068
2-[(cyclobutylamino)methyl]quinolin-4-amine
CID 115485862
2-[(dicyclopropylmethylamino)methyl]quinolin-4-amine
CID 115485809
N-[(2-chloro-1-benzofuran-3-yl)methyl]-1-thiophen-3-ylmethanamine
CID 82704691
2-[[benzyl(methyl)amino]methyl]quinolin-4-amine
CID 115485704
2-[(heptan-2-ylamino)methyl]quinolin-4-amine
CID 115485806
N-[(2-methoxynaphthalen-1-yl)methyl]-1-thiophen-3-ylmethanamine
CID 60733120
2-pentylquinolin-4-amine
CID 14082309
N-[(5-phenyl-2H-triazol-4-yl)methyl]-1-thiophen-3-ylmethanamine
CID 63643321

Frequently Asked Questions

What is the IUPAC name of 2-[(thiophen-3-ylmethylamino)methyl]quinolin-4-amine?
The IUPAC name of 2-[(thiophen-3-ylmethylamino)methyl]quinolin-4-amine (CID 115485883) is 2-[(thiophen-3-ylmethylamino)methyl]quinolin-4-amine.
What is the SMILES notation for 2-[(thiophen-3-ylmethylamino)methyl]quinolin-4-amine?
The canonical SMILES for 2-[(thiophen-3-ylmethylamino)methyl]quinolin-4-amine is Nc1cc(CNCc2ccsc2)nc2ccccc12.
What is the InChIKey of 2-[(thiophen-3-ylmethylamino)methyl]quinolin-4-amine?
The InChIKey is ICIMLDZGUULOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c16-14-7-12(9-17-8-11-5-6-19-10-11)18-15-4-2-1-3-13(14)15/h1-7,10,17H,8-9H2,(H2,16,18).
What are the key properties of 2-[(thiophen-3-ylmethylamino)methyl]quinolin-4-amine?
2-[(thiophen-3-ylmethylamino)methyl]quinolin-4-amine has a molecular weight of 269.37 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(thiophen-3-ylmethylamino)methyl]quinolin-4-amine is sourced from PubChem (CID 115485883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).