[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanamine

C14H18F3N — CID 28937892

IUPAC[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanamine
SMILESNCC1(c2cccc(C(F)(F)F)c2)CCCCC1
InChIInChI=1S/C14H18F3N/c15-14(16,17)12-6-4-5-11(9-12)13(10-18)7-2-1-3-8-13/h4-6,9H,1-3,7-8,10,18H2
InChIKeyAUSNQSGELDROQW-UHFFFAOYSA-N
MW257.30 g/mol
LogP3.87
Rot. Bonds2

About [1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanamine

[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanamine (PubChem CID 28937892) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is [1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanamine
PubChem CID28937892
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanamine
SMILESNCC1(c2cccc(C(F)(F)F)c2)CCCCC1
InChIInChI=1S/C14H18F3N/c15-14(16,17)12-6-4-5-11(9-12)13(10-18)7-2-1-3-8-13/h4-6,9H,1-3,7-8,10,18H2
InChIKeyAUSNQSGELDROQW-UHFFFAOYSA-N
XLogP3.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanamine?
The IUPAC name of [1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanamine (CID 28937892) is [1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanamine.
What is the SMILES notation for [1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanamine?
The canonical SMILES for [1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanamine is NCC1(c2cccc(C(F)(F)F)c2)CCCCC1.
What is the InChIKey of [1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanamine?
The InChIKey is AUSNQSGELDROQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c15-14(16,17)12-6-4-5-11(9-12)13(10-18)7-2-1-3-8-13/h4-6,9H,1-3,7-8,10,18H2.
What are the key properties of [1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanamine?
[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanamine has a molecular weight of 257.30 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanamine is sourced from PubChem (CID 28937892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).