4-(2-aminoethyl)-N-cyclohexyl-N-ethyl-2-fluoroaniline

C16H25FN2 — CID 63783721

IUPAC4-(2-aminoethyl)-N-cyclohexyl-N-ethyl-2-fluoroaniline
SMILESCCN(c1ccc(CCN)cc1F)C1CCCCC1
InChIInChI=1S/C16H25FN2/c1-2-19(14-6-4-3-5-7-14)16-9-8-13(10-11-18)12-15(16)17/h8-9,12,14H,2-7,10-11,18H2,1H3
InChIKeyVWNVPYWPGNYYPT-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.49
Rot. Bonds5

About 4-(2-aminoethyl)-N-cyclohexyl-N-ethyl-2-fluoroaniline

4-(2-aminoethyl)-N-cyclohexyl-N-ethyl-2-fluoroaniline (PubChem CID 63783721) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-cyclohexyl-N-ethyl-2-fluoroaniline.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-cyclohexyl-N-ethyl-2-fluoroaniline
PubChem CID63783721
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name4-(2-aminoethyl)-N-cyclohexyl-N-ethyl-2-fluoroaniline
SMILESCCN(c1ccc(CCN)cc1F)C1CCCCC1
InChIInChI=1S/C16H25FN2/c1-2-19(14-6-4-3-5-7-14)16-9-8-13(10-11-18)12-15(16)17/h8-9,12,14H,2-7,10-11,18H2,1H3
InChIKeyVWNVPYWPGNYYPT-UHFFFAOYSA-N
XLogP3.49
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-cyclohexyl-N-ethyl-2-fluoroaniline?
The IUPAC name of 4-(2-aminoethyl)-N-cyclohexyl-N-ethyl-2-fluoroaniline (CID 63783721) is 4-(2-aminoethyl)-N-cyclohexyl-N-ethyl-2-fluoroaniline.
What is the SMILES notation for 4-(2-aminoethyl)-N-cyclohexyl-N-ethyl-2-fluoroaniline?
The canonical SMILES for 4-(2-aminoethyl)-N-cyclohexyl-N-ethyl-2-fluoroaniline is CCN(c1ccc(CCN)cc1F)C1CCCCC1.
What is the InChIKey of 4-(2-aminoethyl)-N-cyclohexyl-N-ethyl-2-fluoroaniline?
The InChIKey is VWNVPYWPGNYYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-2-19(14-6-4-3-5-7-14)16-9-8-13(10-11-18)12-15(16)17/h8-9,12,14H,2-7,10-11,18H2,1H3.
What are the key properties of 4-(2-aminoethyl)-N-cyclohexyl-N-ethyl-2-fluoroaniline?
4-(2-aminoethyl)-N-cyclohexyl-N-ethyl-2-fluoroaniline has a molecular weight of 264.39 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-cyclohexyl-N-ethyl-2-fluoroaniline is sourced from PubChem (CID 63783721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).