anthracene;thiophen-2-ylmethanamine

C19H17NS — CID 175494003

IUPACanthracene;thiophen-2-ylmethanamine
SMILESNCc1cccs1.c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C14H10.C5H7NS/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;6-4-5-2-1-3-7-5/h1-10H;1-3H,4,6H2
InChIKeyFLZQBJUVRGALHI-UHFFFAOYSA-N
MW291.42 g/mol
LogP5.20
Rot. Bonds1

About anthracene;thiophen-2-ylmethanamine

anthracene;thiophen-2-ylmethanamine (PubChem CID 175494003) has the molecular formula C19H17NS and a molecular weight of 291.42 g/mol. Its IUPAC name is anthracene;thiophen-2-ylmethanamine.

Molecular Properties

Compound Nameanthracene;thiophen-2-ylmethanamine
PubChem CID175494003
Molecular FormulaC19H17NS
Molecular Weight291.42 g/mol
Exact Mass291.11
IUPAC Nameanthracene;thiophen-2-ylmethanamine
SMILESNCc1cccs1.c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C14H10.C5H7NS/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;6-4-5-2-1-3-7-5/h1-10H;1-3H,4,6H2
InChIKeyFLZQBJUVRGALHI-UHFFFAOYSA-N
XLogP5.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.42
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-(thiophen-2-ylmethyl)naphthalen-2-amine
CID 4674609
3-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)quinolin-2-amine
CID 43527791
molecular hydrogen;2-thiophen-2-ylethanamine
CID 142393573
3-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)isoquinolin-1-amine
CID 62284333
[6-(thiophen-2-ylmethyl)pyrimidin-4-yl]methanamine
CID 121206379
2-(naphthalen-1-ylmethyl)thiophene
CID 23454862
[4-(thiophen-2-ylmethoxy)-2-pyridinyl]methanamine
CID 62321392
ethanol;3-methylbut-2-enal;thiophen-2-ylmethanamine
CID 90280771
1-naphthalen-2-yl-5-thiophen-2-ylpentan-2-amine
CID 63526837
2-(bromomethyl)thiophene
CID 11829978
1-benzothiophen-2-ylmethanamine;hydroiodide
CID 175928794
ethanamine;ethane;thiophen-2-ylmethanol
CID 143500491

Frequently Asked Questions

What is the IUPAC name of anthracene;thiophen-2-ylmethanamine?
The IUPAC name of anthracene;thiophen-2-ylmethanamine (CID 175494003) is anthracene;thiophen-2-ylmethanamine.
What is the SMILES notation for anthracene;thiophen-2-ylmethanamine?
The canonical SMILES for anthracene;thiophen-2-ylmethanamine is NCc1cccs1.c1ccc2cc3ccccc3cc2c1.
What is the InChIKey of anthracene;thiophen-2-ylmethanamine?
The InChIKey is FLZQBJUVRGALHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10.C5H7NS/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;6-4-5-2-1-3-7-5/h1-10H;1-3H,4,6H2.
What are the key properties of anthracene;thiophen-2-ylmethanamine?
anthracene;thiophen-2-ylmethanamine has a molecular weight of 291.42 g/mol, XLogP of 5.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene;thiophen-2-ylmethanamine is sourced from PubChem (CID 175494003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).