3,4-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine

C16H22F3NO — CID 64733749

IUPAC3,4-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine
SMILESCC1CCC(N)(Cc2ccc(OC(F)(F)F)cc2)CC1C
InChIInChI=1S/C16H22F3NO/c1-11-7-8-15(20,9-12(11)2)10-13-3-5-14(6-4-13)21-16(17,18)19/h3-6,11-12H,7-10,20H2,1-2H3
InChIKeySZJVXZLRBSGWNM-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.28
Rot. Bonds3

About 3,4-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine

3,4-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine (PubChem CID 64733749) has the molecular formula C16H22F3NO and a molecular weight of 301.35 g/mol. Its IUPAC name is 3,4-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,4-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine
PubChem CID64733749
Molecular FormulaC16H22F3NO
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC Name3,4-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine
SMILESCC1CCC(N)(Cc2ccc(OC(F)(F)F)cc2)CC1C
InChIInChI=1S/C16H22F3NO/c1-11-7-8-15(20,9-12(11)2)10-13-3-5-14(6-4-13)21-16(17,18)19/h3-6,11-12H,7-10,20H2,1-2H3
InChIKeySZJVXZLRBSGWNM-UHFFFAOYSA-N
XLogP4.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine?
The IUPAC name of 3,4-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine (CID 64733749) is 3,4-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 3,4-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine?
The canonical SMILES for 3,4-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine is CC1CCC(N)(Cc2ccc(OC(F)(F)F)cc2)CC1C.
What is the InChIKey of 3,4-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine?
The InChIKey is SZJVXZLRBSGWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO/c1-11-7-8-15(20,9-12(11)2)10-13-3-5-14(6-4-13)21-16(17,18)19/h3-6,11-12H,7-10,20H2,1-2H3.
What are the key properties of 3,4-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine?
3,4-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine has a molecular weight of 301.35 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 64733749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).