(3-nitrophenyl)-thiophen-2-ylmethanamine

C11H10N2O2S — CID 22215325

IUPAC(3-nitrophenyl)-thiophen-2-ylmethanamine
SMILESNC(c1cccc([N+](=O)[O-])c1)c1cccs1
InChIInChI=1S/C11H10N2O2S/c12-11(10-5-2-6-16-10)8-3-1-4-9(7-8)13(14)15/h1-7,11H,12H2
InChIKeyANRXDBUVMJFRFF-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.70
Rot. Bonds3

About (3-nitrophenyl)-thiophen-2-ylmethanamine

(3-nitrophenyl)-thiophen-2-ylmethanamine (PubChem CID 22215325) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is (3-nitrophenyl)-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name(3-nitrophenyl)-thiophen-2-ylmethanamine
PubChem CID22215325
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name(3-nitrophenyl)-thiophen-2-ylmethanamine
SMILESNC(c1cccc([N+](=O)[O-])c1)c1cccs1
InChIInChI=1S/C11H10N2O2S/c12-11(10-5-2-6-16-10)8-3-1-4-9(7-8)13(14)15/h1-7,11H,12H2
InChIKeyANRXDBUVMJFRFF-UHFFFAOYSA-N
XLogP2.70
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[1-(3-nitrophenyl)ethyl]-2-thiophen-2-ylacetamide
CID 115286471
(R)-(4-chloro-3-nitrophenyl)-thiophen-2-ylmethanamine
CID 171225926
1-(3-nitrophenyl)ethanamine;hydrochloride
CID 23105088
(R)-(3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171229492
2-amino-N-methyl-N-[(3-nitrophenyl)methyl]-2-thiophen-2-ylacetamide
CID 115286632
(1S)-2,2,3,3,3-pentafluoro-1-(3-nitrophenyl)propan-1-amine;hydrochloride
CID 171311370
3-nitro-N-[phenyl(thiophen-2-yl)methyl]benzamide
CID 46449776
(2,4-dimethoxyphenyl)-(3-nitrophenyl)methanamine
CID 70193845
2-[(S)-amino(thiophen-2-yl)methyl]-6-fluoro-4-nitrophenol;hydrochloride
CID 171258039
(1S,2R)-1-amino-1-(3-nitrophenyl)propan-2-ol
CID 130639568
ethane;1-nitro-3-propan-2-ylbenzene
CID 162531562
(4-ethoxyphenyl)-(3-nitrophenyl)methanamine
CID 70193824

Frequently Asked Questions

What is the IUPAC name of (3-nitrophenyl)-thiophen-2-ylmethanamine?
The IUPAC name of (3-nitrophenyl)-thiophen-2-ylmethanamine (CID 22215325) is (3-nitrophenyl)-thiophen-2-ylmethanamine.
What is the SMILES notation for (3-nitrophenyl)-thiophen-2-ylmethanamine?
The canonical SMILES for (3-nitrophenyl)-thiophen-2-ylmethanamine is NC(c1cccc([N+](=O)[O-])c1)c1cccs1.
What is the InChIKey of (3-nitrophenyl)-thiophen-2-ylmethanamine?
The InChIKey is ANRXDBUVMJFRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c12-11(10-5-2-6-16-10)8-3-1-4-9(7-8)13(14)15/h1-7,11H,12H2.
What are the key properties of (3-nitrophenyl)-thiophen-2-ylmethanamine?
(3-nitrophenyl)-thiophen-2-ylmethanamine has a molecular weight of 234.28 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-nitrophenyl)-thiophen-2-ylmethanamine is sourced from PubChem (CID 22215325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).