(R)-(4-chloro-3-nitrophenyl)-thiophen-2-ylmethanamine

C11H9ClN2O2S — CID 171225926

IUPAC(R)-(4-chloro-3-nitrophenyl)-thiophen-2-ylmethanamine
SMILESN[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)c1cccs1
InChIInChI=1S/C11H9ClN2O2S/c12-8-4-3-7(6-9(8)14(15)16)11(13)10-2-1-5-17-10/h1-6,11H,13H2/t11-/m1/s1
InChIKeyHJRSXOMFAYQPSS-LLVKDONJSA-N
MW268.73 g/mol
LogP3.36
Rot. Bonds3

About (R)-(4-chloro-3-nitrophenyl)-thiophen-2-ylmethanamine

(R)-(4-chloro-3-nitrophenyl)-thiophen-2-ylmethanamine (PubChem CID 171225926) has the molecular formula C11H9ClN2O2S and a molecular weight of 268.73 g/mol. Its IUPAC name is (R)-(4-chloro-3-nitrophenyl)-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name(R)-(4-chloro-3-nitrophenyl)-thiophen-2-ylmethanamine
PubChem CID171225926
Molecular FormulaC11H9ClN2O2S
Molecular Weight268.73 g/mol
Exact Mass268.01
IUPAC Name(R)-(4-chloro-3-nitrophenyl)-thiophen-2-ylmethanamine
SMILESN[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)c1cccs1
InChIInChI=1S/C11H9ClN2O2S/c12-8-4-3-7(6-9(8)14(15)16)11(13)10-2-1-5-17-10/h1-6,11H,13H2/t11-/m1/s1
InChIKeyHJRSXOMFAYQPSS-LLVKDONJSA-N
XLogP3.36
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.73
LogP ≤ 53.36
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

(3-nitrophenyl)-thiophen-2-ylmethanamine
CID 22215325
1-[(S)-(4-chloro-3-nitrophenyl)-thiophen-2-ylmethyl]piperazine
CID 171290991
2-amino-N-(4-chloro-3-nitrophenyl)-2-thiophen-2-ylacetamide
CID 115286307
(R)-(4-chloro-3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171231501
(1R)-1-(4-chloro-3-nitrophenyl)ethane-1,2-diamine;hydrochloride
CID 171225892
(1R)-1-(4-chloro-3-nitrophenyl)-2-fluoroethanamine;hydrochloride
CID 171225891
(S)-(4-chloro-3-methoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171211135
(1S,2R)-1-amino-1-(4-chloro-3-nitrophenyl)propan-2-ol
CID 131600174
4-chloro-3-nitro-N-(1-thiophen-2-ylpropyl)aniline
CID 43719388
(1R)-1-(4-chloro-3-nitrophenyl)-3,3-difluoropropan-1-amine
CID 171313698
(S)-(5-fluoro-2-nitrophenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171206029
(3S)-3-amino-3-(4-chloro-3-nitrophenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171248472

Frequently Asked Questions

What is the IUPAC name of (R)-(4-chloro-3-nitrophenyl)-thiophen-2-ylmethanamine?
The IUPAC name of (R)-(4-chloro-3-nitrophenyl)-thiophen-2-ylmethanamine (CID 171225926) is (R)-(4-chloro-3-nitrophenyl)-thiophen-2-ylmethanamine.
What is the SMILES notation for (R)-(4-chloro-3-nitrophenyl)-thiophen-2-ylmethanamine?
The canonical SMILES for (R)-(4-chloro-3-nitrophenyl)-thiophen-2-ylmethanamine is N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)c1cccs1.
What is the InChIKey of (R)-(4-chloro-3-nitrophenyl)-thiophen-2-ylmethanamine?
The InChIKey is HJRSXOMFAYQPSS-LLVKDONJSA-N. The full InChI is InChI=1S/C11H9ClN2O2S/c12-8-4-3-7(6-9(8)14(15)16)11(13)10-2-1-5-17-10/h1-6,11H,13H2/t11-/m1/s1.
What are the key properties of (R)-(4-chloro-3-nitrophenyl)-thiophen-2-ylmethanamine?
(R)-(4-chloro-3-nitrophenyl)-thiophen-2-ylmethanamine has a molecular weight of 268.73 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(4-chloro-3-nitrophenyl)-thiophen-2-ylmethanamine is sourced from PubChem (CID 171225926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).