5-fluoro-3-N-(3-tricyclo[3.2.1.02,4]octanyl)benzene-1,3-diamine

C14H17FN2 — CID 114095347

IUPAC5-fluoro-3-N-(3-tricyclo[3.2.1.02,4]octanyl)benzene-1,3-diamine
SMILESNc1cc(F)cc(NC2C3C4CCC(C4)C23)c1
InChIInChI=1S/C14H17FN2/c15-9-4-10(16)6-11(5-9)17-14-12-7-1-2-8(3-7)13(12)14/h4-8,12-14,17H,1-3,16H2
InChIKeyWONADMFSPBMXFU-UHFFFAOYSA-N
MW232.30 g/mol
LogP2.86
Rot. Bonds2

About 5-fluoro-3-N-(3-tricyclo[3.2.1.02,4]octanyl)benzene-1,3-diamine

5-fluoro-3-N-(3-tricyclo[3.2.1.02,4]octanyl)benzene-1,3-diamine (PubChem CID 114095347) has the molecular formula C14H17FN2 and a molecular weight of 232.30 g/mol. Its IUPAC name is 5-fluoro-3-N-(3-tricyclo[3.2.1.02,4]octanyl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-fluoro-3-N-(3-tricyclo[3.2.1.02,4]octanyl)benzene-1,3-diamine
PubChem CID114095347
Molecular FormulaC14H17FN2
Molecular Weight232.30 g/mol
Exact Mass232.14
IUPAC Name5-fluoro-3-N-(3-tricyclo[3.2.1.02,4]octanyl)benzene-1,3-diamine
SMILESNc1cc(F)cc(NC2C3C4CCC(C4)C23)c1
InChIInChI=1S/C14H17FN2/c15-9-4-10(16)6-11(5-9)17-14-12-7-1-2-8(3-7)13(12)14/h4-8,12-14,17H,1-3,16H2
InChIKeyWONADMFSPBMXFU-UHFFFAOYSA-N
XLogP2.86
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-N-(4-ethylcyclohexyl)-5-fluorobenzene-1,3-diamine
CID 54955628
3-N-(1-adamantyl)-5-fluorobenzene-1,3-diamine
CID 60875173
5-fluoro-3-N-(1-propylpiperidin-4-yl)benzene-1,3-diamine
CID 54963571
3-methyl-1-N-(3-tricyclo[3.2.1.02,4]octanyl)benzene-1,2-diamine
CID 114095351
3-N-(cyclohexylmethyl)-5-fluorobenzene-1,3-diamine
CID 60876329
3-fluoro-5-[(3-tricyclo[3.2.1.02,4]octanylamino)methyl]phenol
CID 114095653
N-(3-amino-5-fluorophenyl)-1-cyclopropylmethanesulfonamide
CID 107334203
5-fluoro-6-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)pyrimidin-4-amine
CID 103765115
N-(3-amino-5-fluorophenyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 107333937
5-fluoro-3-N-(2,4,5-trifluorophenyl)benzene-1,3-diamine
CID 62814503
N-(3-amino-5-fluorophenyl)-4-tert-butylcyclohexane-1-carboxamide
CID 107333878
N-[3-(difluoromethoxy)-4-nitrophenyl]tricyclo[3.2.1.02,4]octan-3-amine
CID 133430442

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-N-(3-tricyclo[3.2.1.02,4]octanyl)benzene-1,3-diamine?
The IUPAC name of 5-fluoro-3-N-(3-tricyclo[3.2.1.02,4]octanyl)benzene-1,3-diamine (CID 114095347) is 5-fluoro-3-N-(3-tricyclo[3.2.1.02,4]octanyl)benzene-1,3-diamine.
What is the SMILES notation for 5-fluoro-3-N-(3-tricyclo[3.2.1.02,4]octanyl)benzene-1,3-diamine?
The canonical SMILES for 5-fluoro-3-N-(3-tricyclo[3.2.1.02,4]octanyl)benzene-1,3-diamine is Nc1cc(F)cc(NC2C3C4CCC(C4)C23)c1.
What is the InChIKey of 5-fluoro-3-N-(3-tricyclo[3.2.1.02,4]octanyl)benzene-1,3-diamine?
The InChIKey is WONADMFSPBMXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2/c15-9-4-10(16)6-11(5-9)17-14-12-7-1-2-8(3-7)13(12)14/h4-8,12-14,17H,1-3,16H2.
What are the key properties of 5-fluoro-3-N-(3-tricyclo[3.2.1.02,4]octanyl)benzene-1,3-diamine?
5-fluoro-3-N-(3-tricyclo[3.2.1.02,4]octanyl)benzene-1,3-diamine has a molecular weight of 232.30 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-N-(3-tricyclo[3.2.1.02,4]octanyl)benzene-1,3-diamine is sourced from PubChem (CID 114095347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).