3-N-cyclopropyl-5-fluoro-3-N-(thiophen-2-ylmethyl)benzene-1,3-diamine

C14H15FN2S — CID 54948508

IUPAC3-N-cyclopropyl-5-fluoro-3-N-(thiophen-2-ylmethyl)benzene-1,3-diamine
SMILESNc1cc(F)cc(N(Cc2cccs2)C2CC2)c1
InChIInChI=1S/C14H15FN2S/c15-10-6-11(16)8-13(7-10)17(12-3-4-12)9-14-2-1-5-18-14/h1-2,5-8,12H,3-4,9,16H2
InChIKeyMNZFUDXQTKQDGT-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.64
Rot. Bonds4

About 3-N-cyclopropyl-5-fluoro-3-N-(thiophen-2-ylmethyl)benzene-1,3-diamine

3-N-cyclopropyl-5-fluoro-3-N-(thiophen-2-ylmethyl)benzene-1,3-diamine (PubChem CID 54948508) has the molecular formula C14H15FN2S and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-N-cyclopropyl-5-fluoro-3-N-(thiophen-2-ylmethyl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-cyclopropyl-5-fluoro-3-N-(thiophen-2-ylmethyl)benzene-1,3-diamine
PubChem CID54948508
Molecular FormulaC14H15FN2S
Molecular Weight262.35 g/mol
Exact Mass262.09
IUPAC Name3-N-cyclopropyl-5-fluoro-3-N-(thiophen-2-ylmethyl)benzene-1,3-diamine
SMILESNc1cc(F)cc(N(Cc2cccs2)C2CC2)c1
InChIInChI=1S/C14H15FN2S/c15-10-6-11(16)8-13(7-10)17(12-3-4-12)9-14-2-1-5-18-14/h1-2,5-8,12H,3-4,9,16H2
InChIKeyMNZFUDXQTKQDGT-UHFFFAOYSA-N
XLogP3.64
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.64
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

3-N-cyclopropyl-5-methoxy-3-N-(thiophen-2-ylmethyl)benzene-1,3-diamine
CID 80729545
1-N-cyclopropyl-1-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 61451030
4-[cyclopropyl(thiophen-2-ylmethyl)amino]-3,5-difluorobenzenecarbothioamide
CID 81286907
N-cyclopropyl-6-fluoro-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 133350958
4-bromo-1-N-cyclopropyl-1-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
CID 61451094
1-[2-[cyclopropyl(thiophen-2-ylmethyl)amino]-5-fluorophenyl]ethanone
CID 61449250
4-[(1R)-1-aminoethyl]-N-cyclopropyl-2-fluoro-N-(thiophen-2-ylmethyl)aniline
CID 63368648
2-N-cyclopropyl-2-N-(thiophen-2-ylmethyl)-1,3-benzoxazole-2,6-diamine
CID 79882328
5-N-cyclopropyl-5-N-(thiophen-2-ylmethyl)-1,2,4-thiadiazole-3,5-diamine
CID 66280123
3-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-5-fluoroaniline
CID 112646022
4-[cyclopropyl(thiophen-2-ylmethyl)amino]pyridine-2-carbonitrile
CID 62936059
N-cyclopropyl-1-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61450779

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclopropyl-5-fluoro-3-N-(thiophen-2-ylmethyl)benzene-1,3-diamine?
The IUPAC name of 3-N-cyclopropyl-5-fluoro-3-N-(thiophen-2-ylmethyl)benzene-1,3-diamine (CID 54948508) is 3-N-cyclopropyl-5-fluoro-3-N-(thiophen-2-ylmethyl)benzene-1,3-diamine.
What is the SMILES notation for 3-N-cyclopropyl-5-fluoro-3-N-(thiophen-2-ylmethyl)benzene-1,3-diamine?
The canonical SMILES for 3-N-cyclopropyl-5-fluoro-3-N-(thiophen-2-ylmethyl)benzene-1,3-diamine is Nc1cc(F)cc(N(Cc2cccs2)C2CC2)c1.
What is the InChIKey of 3-N-cyclopropyl-5-fluoro-3-N-(thiophen-2-ylmethyl)benzene-1,3-diamine?
The InChIKey is MNZFUDXQTKQDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2S/c15-10-6-11(16)8-13(7-10)17(12-3-4-12)9-14-2-1-5-18-14/h1-2,5-8,12H,3-4,9,16H2.
What are the key properties of 3-N-cyclopropyl-5-fluoro-3-N-(thiophen-2-ylmethyl)benzene-1,3-diamine?
3-N-cyclopropyl-5-fluoro-3-N-(thiophen-2-ylmethyl)benzene-1,3-diamine has a molecular weight of 262.35 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclopropyl-5-fluoro-3-N-(thiophen-2-ylmethyl)benzene-1,3-diamine is sourced from PubChem (CID 54948508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).