1-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-amine

C15H20F3NO2 — CID 64756751

IUPAC1-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCOc1ccc(C2(N)CCC(C(F)(F)F)CC2)cc1OC
InChIInChI=1S/C15H20F3NO2/c1-20-12-4-3-11(9-13(12)21-2)14(19)7-5-10(6-8-14)15(16,17)18/h3-4,9-10H,5-8,19H2,1-2H3
InChIKeyNGAGUYSXDZLKCM-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.61
Rot. Bonds3

About 1-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-amine

1-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64756751) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64756751
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC Name1-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCOc1ccc(C2(N)CCC(C(F)(F)F)CC2)cc1OC
InChIInChI=1S/C15H20F3NO2/c1-20-12-4-3-11(9-13(12)21-2)14(19)7-5-10(6-8-14)15(16,17)18/h3-4,9-10H,5-8,19H2,1-2H3
InChIKeyNGAGUYSXDZLKCM-UHFFFAOYSA-N
XLogP3.61
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 64756751) is 1-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-amine is COc1ccc(C2(N)CCC(C(F)(F)F)CC2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is NGAGUYSXDZLKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO2/c1-20-12-4-3-11(9-13(12)21-2)14(19)7-5-10(6-8-14)15(16,17)18/h3-4,9-10H,5-8,19H2,1-2H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-amine?
1-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 303.32 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64756751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).