4-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-2-fluoroaniline

C15H17FN2S — CID 63188821

IUPAC4-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-2-fluoroaniline
SMILESNc1ccc(CN(Cc2cccs2)C2CC2)cc1F
InChIInChI=1S/C15H17FN2S/c16-14-8-11(3-6-15(14)17)9-18(12-4-5-12)10-13-2-1-7-19-13/h1-3,6-8,12H,4-5,9-10,17H2
InChIKeyBMFJDMMSRXHGJN-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.63
Rot. Bonds5

About 4-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-2-fluoroaniline

4-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-2-fluoroaniline (PubChem CID 63188821) has the molecular formula C15H17FN2S and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-2-fluoroaniline.

Molecular Properties

Compound Name4-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-2-fluoroaniline
PubChem CID63188821
Molecular FormulaC15H17FN2S
Molecular Weight276.38 g/mol
Exact Mass276.11
IUPAC Name4-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-2-fluoroaniline
SMILESNc1ccc(CN(Cc2cccs2)C2CC2)cc1F
InChIInChI=1S/C15H17FN2S/c16-14-8-11(3-6-15(14)17)9-18(12-4-5-12)10-13-2-1-7-19-13/h1-3,6-8,12H,4-5,9-10,17H2
InChIKeyBMFJDMMSRXHGJN-UHFFFAOYSA-N
XLogP3.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(aminomethyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 61450995
2-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]ethyl]aniline
CID 62496584
4-N-ethyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine
CID 62808156
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 65482513
3-N-cyclopropyl-5-fluoro-3-N-(thiophen-2-ylmethyl)benzene-1,3-diamine
CID 54948508
4-[cyclopropyl(thiophen-2-ylmethyl)amino]-3,5-difluorobenzenecarbothioamide
CID 81286907
N-[(4-amino-3-fluorophenyl)methyl]-N-methylcycloheptanamine
CID 55159078
5-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]furan-3-carbohydrazide
CID 63577161
1-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 54948428
N'-cyclopropyl-2,2-dimethyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62261097
1-N-cyclopropyl-2-methyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 79811729
N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 62411859

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-2-fluoroaniline?
The IUPAC name of 4-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-2-fluoroaniline (CID 63188821) is 4-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-2-fluoroaniline.
What is the SMILES notation for 4-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-2-fluoroaniline?
The canonical SMILES for 4-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-2-fluoroaniline is Nc1ccc(CN(Cc2cccs2)C2CC2)cc1F.
What is the InChIKey of 4-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-2-fluoroaniline?
The InChIKey is BMFJDMMSRXHGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2S/c16-14-8-11(3-6-15(14)17)9-18(12-4-5-12)10-13-2-1-7-19-13/h1-3,6-8,12H,4-5,9-10,17H2.
What are the key properties of 4-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-2-fluoroaniline?
4-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-2-fluoroaniline has a molecular weight of 276.38 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-2-fluoroaniline is sourced from PubChem (CID 63188821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).