2-fluoro-5-methoxy-4-nitro-N-(1-thiophen-3-ylpropan-2-yl)aniline

C14H15FN2O3S — CID 103883288

IUPAC2-fluoro-5-methoxy-4-nitro-N-(1-thiophen-3-ylpropan-2-yl)aniline
SMILESCOc1cc(NC(C)Cc2ccsc2)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C14H15FN2O3S/c1-9(5-10-3-4-21-8-10)16-12-7-14(20-2)13(17(18)19)6-11(12)15/h3-4,6-9,16H,5H2,1-2H3
InChIKeyLAEPCWOFDBYGEP-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.85
Rot. Bonds6

About 2-fluoro-5-methoxy-4-nitro-N-(1-thiophen-3-ylpropan-2-yl)aniline

2-fluoro-5-methoxy-4-nitro-N-(1-thiophen-3-ylpropan-2-yl)aniline (PubChem CID 103883288) has the molecular formula C14H15FN2O3S and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-fluoro-5-methoxy-4-nitro-N-(1-thiophen-3-ylpropan-2-yl)aniline.

Molecular Properties

Compound Name2-fluoro-5-methoxy-4-nitro-N-(1-thiophen-3-ylpropan-2-yl)aniline
PubChem CID103883288
Molecular FormulaC14H15FN2O3S
Molecular Weight310.35 g/mol
Exact Mass310.08
IUPAC Name2-fluoro-5-methoxy-4-nitro-N-(1-thiophen-3-ylpropan-2-yl)aniline
SMILESCOc1cc(NC(C)Cc2ccsc2)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C14H15FN2O3S/c1-9(5-10-3-4-21-8-10)16-12-7-14(20-2)13(17(18)19)6-11(12)15/h3-4,6-9,16H,5H2,1-2H3
InChIKeyLAEPCWOFDBYGEP-UHFFFAOYSA-N
XLogP3.85
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-fluoro-5-methoxy-4-nitro-N-(1-thiophen-3-ylpropan-2-yl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-5-methoxy-4-nitro-N-(thiophen-3-ylmethyl)aniline
CID 103883268
4-(2-fluoro-5-methoxy-4-nitroanilino)pentanoic acid
CID 107260020
N-(1-ethylsulfanylpropan-2-yl)-2-fluoro-5-methoxy-4-nitroaniline
CID 107260388
2-fluoro-5-methoxy-N-(3-methylpentan-2-yl)-4-nitroaniline
CID 103883397
3-nitro-4-(1-thiophen-3-ylpropan-2-ylamino)benzamide
CID 61221657
2-(difluoromethyl)-4-nitro-N-(1-thiophen-3-ylpropan-2-yl)aniline
CID 63736320
2-fluoro-5-methoxy-N-(2-methylpentan-3-yl)-4-nitroaniline
CID 103883296
2-fluoro-5-methoxy-4-nitro-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]aniline
CID 75438655
3-fluoro-5-nitro-N-(1-thiophen-3-ylpropan-2-yl)aniline
CID 61474560
N-[(2-methoxy-5-nitrophenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61474040
1-N-(2-fluoro-5-methoxy-4-nitrophenyl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 102809457
4,5-dimethoxy-2-nitro-N-(2-thiophen-3-ylethyl)aniline
CID 83005504

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methoxy-4-nitro-N-(1-thiophen-3-ylpropan-2-yl)aniline?
The IUPAC name of 2-fluoro-5-methoxy-4-nitro-N-(1-thiophen-3-ylpropan-2-yl)aniline (CID 103883288) is 2-fluoro-5-methoxy-4-nitro-N-(1-thiophen-3-ylpropan-2-yl)aniline.
What is the SMILES notation for 2-fluoro-5-methoxy-4-nitro-N-(1-thiophen-3-ylpropan-2-yl)aniline?
The canonical SMILES for 2-fluoro-5-methoxy-4-nitro-N-(1-thiophen-3-ylpropan-2-yl)aniline is COc1cc(NC(C)Cc2ccsc2)c(F)cc1[N+](=O)[O-].
What is the InChIKey of 2-fluoro-5-methoxy-4-nitro-N-(1-thiophen-3-ylpropan-2-yl)aniline?
The InChIKey is LAEPCWOFDBYGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3S/c1-9(5-10-3-4-21-8-10)16-12-7-14(20-2)13(17(18)19)6-11(12)15/h3-4,6-9,16H,5H2,1-2H3.
What are the key properties of 2-fluoro-5-methoxy-4-nitro-N-(1-thiophen-3-ylpropan-2-yl)aniline?
2-fluoro-5-methoxy-4-nitro-N-(1-thiophen-3-ylpropan-2-yl)aniline has a molecular weight of 310.35 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methoxy-4-nitro-N-(1-thiophen-3-ylpropan-2-yl)aniline is sourced from PubChem (CID 103883288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).