3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-amine

C16H20F3N — CID 64593504

IUPAC3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-amine
SMILESNC1(c2ccc(C(F)(F)F)cc2)CCCC(C2CC2)C1
InChIInChI=1S/C16H20F3N/c17-16(18,19)14-7-5-13(6-8-14)15(20)9-1-2-12(10-15)11-3-4-11/h5-8,11-12H,1-4,9-10,20H2
InChIKeyAECTZWXMJBDBFQ-UHFFFAOYSA-N
MW283.34 g/mol
LogP4.46
Rot. Bonds2

About 3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-amine

3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-amine (PubChem CID 64593504) has the molecular formula C16H20F3N and a molecular weight of 283.34 g/mol. Its IUPAC name is 3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-amine
PubChem CID64593504
Molecular FormulaC16H20F3N
Molecular Weight283.34 g/mol
Exact Mass283.15
IUPAC Name3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-amine
SMILESNC1(c2ccc(C(F)(F)F)cc2)CCCC(C2CC2)C1
InChIInChI=1S/C16H20F3N/c17-16(18,19)14-7-5-13(6-8-14)15(20)9-1-2-12(10-15)11-3-4-11/h5-8,11-12H,1-4,9-10,20H2
InChIKeyAECTZWXMJBDBFQ-UHFFFAOYSA-N
XLogP4.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-amine?
The IUPAC name of 3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-amine (CID 64593504) is 3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-amine.
What is the SMILES notation for 3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-amine?
The canonical SMILES for 3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-amine is NC1(c2ccc(C(F)(F)F)cc2)CCCC(C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-amine?
The InChIKey is AECTZWXMJBDBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N/c17-16(18,19)14-7-5-13(6-8-14)15(20)9-1-2-12(10-15)11-3-4-11/h5-8,11-12H,1-4,9-10,20H2.
What are the key properties of 3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-amine?
3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-amine has a molecular weight of 283.34 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-amine is sourced from PubChem (CID 64593504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).