3-[4-(dimethylamino)cyclohexen-1-yl]-5-fluoroaniline

C14H19FN2 — CID 58852362

IUPAC3-[4-(dimethylamino)cyclohexen-1-yl]-5-fluoroaniline
SMILESCN(C)C1CC=C(c2cc(N)cc(F)c2)CC1
InChIInChI=1S/C14H19FN2/c1-17(2)14-5-3-10(4-6-14)11-7-12(15)9-13(16)8-11/h3,7-9,14H,4-6,16H2,1-2H3
InChIKeyUHMBCIDZUDFMRE-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.91
Rot. Bonds2

About 3-[4-(dimethylamino)cyclohexen-1-yl]-5-fluoroaniline

3-[4-(dimethylamino)cyclohexen-1-yl]-5-fluoroaniline (PubChem CID 58852362) has the molecular formula C14H19FN2 and a molecular weight of 234.32 g/mol. Its IUPAC name is 3-[4-(dimethylamino)cyclohexen-1-yl]-5-fluoroaniline.

Molecular Properties

Compound Name3-[4-(dimethylamino)cyclohexen-1-yl]-5-fluoroaniline
PubChem CID58852362
Molecular FormulaC14H19FN2
Molecular Weight234.32 g/mol
Exact Mass234.15
IUPAC Name3-[4-(dimethylamino)cyclohexen-1-yl]-5-fluoroaniline
SMILESCN(C)C1CC=C(c2cc(N)cc(F)c2)CC1
InChIInChI=1S/C14H19FN2/c1-17(2)14-5-3-10(4-6-14)11-7-12(15)9-13(16)8-11/h3,7-9,14H,4-6,16H2,1-2H3
InChIKeyUHMBCIDZUDFMRE-UHFFFAOYSA-N
XLogP2.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)cyclohexen-1-yl]-5-fluoroaniline?
The IUPAC name of 3-[4-(dimethylamino)cyclohexen-1-yl]-5-fluoroaniline (CID 58852362) is 3-[4-(dimethylamino)cyclohexen-1-yl]-5-fluoroaniline.
What is the SMILES notation for 3-[4-(dimethylamino)cyclohexen-1-yl]-5-fluoroaniline?
The canonical SMILES for 3-[4-(dimethylamino)cyclohexen-1-yl]-5-fluoroaniline is CN(C)C1CC=C(c2cc(N)cc(F)c2)CC1.
What is the InChIKey of 3-[4-(dimethylamino)cyclohexen-1-yl]-5-fluoroaniline?
The InChIKey is UHMBCIDZUDFMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2/c1-17(2)14-5-3-10(4-6-14)11-7-12(15)9-13(16)8-11/h3,7-9,14H,4-6,16H2,1-2H3.
What are the key properties of 3-[4-(dimethylamino)cyclohexen-1-yl]-5-fluoroaniline?
3-[4-(dimethylamino)cyclohexen-1-yl]-5-fluoroaniline has a molecular weight of 234.32 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)cyclohexen-1-yl]-5-fluoroaniline is sourced from PubChem (CID 58852362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).