1-(4-methyl-3-nitrophenyl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamine

C15H18N2O2S — CID 81398487

IUPAC1-(4-methyl-3-nitrophenyl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamine
SMILESCc1ccc(C(C)N[C@H](C)c2cccs2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H18N2O2S/c1-10-6-7-13(9-14(10)17(18)19)11(2)16-12(3)15-5-4-8-20-15/h4-9,11-12,16H,1-3H3/t11?,12-/m1/s1
InChIKeyKKYZCPOBRQAWJT-PIJUOVFKSA-N
MW290.39 g/mol
LogP4.38
Rot. Bonds5

About 1-(4-methyl-3-nitrophenyl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamine

1-(4-methyl-3-nitrophenyl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamine (PubChem CID 81398487) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-(4-methyl-3-nitrophenyl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamine.

Molecular Properties

Compound Name1-(4-methyl-3-nitrophenyl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamine
PubChem CID81398487
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name1-(4-methyl-3-nitrophenyl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamine
SMILESCc1ccc(C(C)N[C@H](C)c2cccs2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H18N2O2S/c1-10-6-7-13(9-14(10)17(18)19)11(2)16-12(3)15-5-4-8-20-15/h4-9,11-12,16H,1-3H3/t11?,12-/m1/s1
InChIKeyKKYZCPOBRQAWJT-PIJUOVFKSA-N
XLogP4.38
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 54.38
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

1-(4-methyl-3-nitrophenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
CID 61473036
N-[(4-methyl-3-nitrophenyl)methyl]-1-thiophen-2-ylethanamine
CID 43223478
N-[1-(4-methyl-3-nitrophenyl)ethyl]butan-2-amine
CID 43200679
1-(2-nitrophenyl)-N-(1-thiophen-2-ylethyl)ethanamine
CID 43147647
2,5-dimethyl-4-nitro-N-(1-thiophen-2-ylethyl)aniline
CID 103144969
1-cyclopropyl-N-[1-(4-methyl-3-nitrophenyl)ethyl]ethanamine
CID 43533210
2,6-dichloro-N-[1-(4-methyl-3-nitrophenyl)ethyl]aniline
CID 65469894
1-methoxy-N-[1-(4-methyl-3-nitrophenyl)ethyl]propan-2-amine
CID 43200931
N-methoxy-1-(4-methyl-3-nitrophenyl)ethanamine
CID 82706496
3-methyl-2-[1-(4-methyl-3-nitrophenyl)ethylamino]butanamide
CID 106344594
(2R)-2-[1-(4-methyl-3-nitrophenyl)ethylamino]butan-1-ol
CID 103922644
4-methyl-2-[1-(4-methyl-3-nitrophenyl)ethylamino]pentan-1-ol
CID 61245821

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-3-nitrophenyl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamine?
The IUPAC name of 1-(4-methyl-3-nitrophenyl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamine (CID 81398487) is 1-(4-methyl-3-nitrophenyl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamine.
What is the SMILES notation for 1-(4-methyl-3-nitrophenyl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamine?
The canonical SMILES for 1-(4-methyl-3-nitrophenyl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamine is Cc1ccc(C(C)N[C@H](C)c2cccs2)cc1[N+](=O)[O-].
What is the InChIKey of 1-(4-methyl-3-nitrophenyl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamine?
The InChIKey is KKYZCPOBRQAWJT-PIJUOVFKSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-10-6-7-13(9-14(10)17(18)19)11(2)16-12(3)15-5-4-8-20-15/h4-9,11-12,16H,1-3H3/t11?,12-/m1/s1.
What are the key properties of 1-(4-methyl-3-nitrophenyl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamine?
1-(4-methyl-3-nitrophenyl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamine has a molecular weight of 290.39 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-3-nitrophenyl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamine is sourced from PubChem (CID 81398487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).