N-(3-cyclopropylcyclohexyl)-2-fluoroaniline

C15H20FN — CID 64595816

IUPACN-(3-cyclopropylcyclohexyl)-2-fluoroaniline
SMILESFc1ccccc1NC1CCCC(C2CC2)C1
InChIInChI=1S/C15H20FN/c16-14-6-1-2-7-15(14)17-13-5-3-4-12(10-13)11-8-9-11/h1-2,6-7,11-13,17H,3-5,8-10H2
InChIKeyCQOHFDSLGFZCBZ-UHFFFAOYSA-N
MW233.33 g/mol
LogP4.21
Rot. Bonds3

About N-(3-cyclopropylcyclohexyl)-2-fluoroaniline

N-(3-cyclopropylcyclohexyl)-2-fluoroaniline (PubChem CID 64595816) has the molecular formula C15H20FN and a molecular weight of 233.33 g/mol. Its IUPAC name is N-(3-cyclopropylcyclohexyl)-2-fluoroaniline.

Molecular Properties

Compound NameN-(3-cyclopropylcyclohexyl)-2-fluoroaniline
PubChem CID64595816
Molecular FormulaC15H20FN
Molecular Weight233.33 g/mol
Exact Mass233.16
IUPAC NameN-(3-cyclopropylcyclohexyl)-2-fluoroaniline
SMILESFc1ccccc1NC1CCCC(C2CC2)C1
InChIInChI=1S/C15H20FN/c16-14-6-1-2-7-15(14)17-13-5-3-4-12(10-13)11-8-9-11/h1-2,6-7,11-13,17H,3-5,8-10H2
InChIKeyCQOHFDSLGFZCBZ-UHFFFAOYSA-N
XLogP4.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropylcyclohexyl)-2-fluoroaniline?
The IUPAC name of N-(3-cyclopropylcyclohexyl)-2-fluoroaniline (CID 64595816) is N-(3-cyclopropylcyclohexyl)-2-fluoroaniline.
What is the SMILES notation for N-(3-cyclopropylcyclohexyl)-2-fluoroaniline?
The canonical SMILES for N-(3-cyclopropylcyclohexyl)-2-fluoroaniline is Fc1ccccc1NC1CCCC(C2CC2)C1.
What is the InChIKey of N-(3-cyclopropylcyclohexyl)-2-fluoroaniline?
The InChIKey is CQOHFDSLGFZCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN/c16-14-6-1-2-7-15(14)17-13-5-3-4-12(10-13)11-8-9-11/h1-2,6-7,11-13,17H,3-5,8-10H2.
What are the key properties of N-(3-cyclopropylcyclohexyl)-2-fluoroaniline?
N-(3-cyclopropylcyclohexyl)-2-fluoroaniline has a molecular weight of 233.33 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropylcyclohexyl)-2-fluoroaniline is sourced from PubChem (CID 64595816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).