cis-(1R,3S)-N-ethyl-N-methyl-3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine

C16H22F3N — CID 153367450

IUPACcis-(1R,3S)-N-ethyl-N-methyl-3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine
SMILESCCN(C)[C@@H]1CCC[C@H](c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C16H22F3N/c1-3-20(2)15-9-5-7-13(11-15)12-6-4-8-14(10-12)16(17,18)19/h4,6,8,10,13,15H,3,5,7,9,11H2,1-2H3/t13-,15+/m0/s1
InChIKeyLUBGLSNTGPWOCI-DZGCQCFKSA-N
MW285.35 g/mol
LogP4.68
Rot. Bonds3

About cis-(1R,3S)-N-ethyl-N-methyl-3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine

cis-(1R,3S)-N-ethyl-N-methyl-3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine (PubChem CID 153367450) has the molecular formula C16H22F3N and a molecular weight of 285.35 g/mol. Its IUPAC name is cis-(1R,3S)-N-ethyl-N-methyl-3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1R,3S)-N-ethyl-N-methyl-3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine
PubChem CID153367450
Molecular FormulaC16H22F3N
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC Namecis-(1R,3S)-N-ethyl-N-methyl-3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine
SMILESCCN(C)[C@@H]1CCC[C@H](c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C16H22F3N/c1-3-20(2)15-9-5-7-13(11-15)12-6-4-8-14(10-12)16(17,18)19/h4,6,8,10,13,15H,3,5,7,9,11H2,1-2H3/t13-,15+/m0/s1
InChIKeyLUBGLSNTGPWOCI-DZGCQCFKSA-N
XLogP4.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-N-ethyl-N-methyl-3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine?
The IUPAC name of cis-(1R,3S)-N-ethyl-N-methyl-3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine (CID 153367450) is cis-(1R,3S)-N-ethyl-N-methyl-3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine.
What is the SMILES notation for cis-(1R,3S)-N-ethyl-N-methyl-3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine?
The canonical SMILES for cis-(1R,3S)-N-ethyl-N-methyl-3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine is CCN(C)[C@@H]1CCC[C@H](c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of cis-(1R,3S)-N-ethyl-N-methyl-3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine?
The InChIKey is LUBGLSNTGPWOCI-DZGCQCFKSA-N. The full InChI is InChI=1S/C16H22F3N/c1-3-20(2)15-9-5-7-13(11-15)12-6-4-8-14(10-12)16(17,18)19/h4,6,8,10,13,15H,3,5,7,9,11H2,1-2H3/t13-,15+/m0/s1.
What are the key properties of cis-(1R,3S)-N-ethyl-N-methyl-3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine?
cis-(1R,3S)-N-ethyl-N-methyl-3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine has a molecular weight of 285.35 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-N-ethyl-N-methyl-3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine is sourced from PubChem (CID 153367450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).