4,4-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine

C16H22F3N — CID 81014967

IUPAC4,4-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
SMILESCC1(C)CCC(N)C(Cc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C16H22F3N/c1-15(2)8-7-14(20)12(10-15)9-11-3-5-13(6-4-11)16(17,18)19/h3-6,12,14H,7-10,20H2,1-2H3
InChIKeyZUFVLIVQOLQFPI-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.40
Rot. Bonds2

About 4,4-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine

4,4-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine (PubChem CID 81014967) has the molecular formula C16H22F3N and a molecular weight of 285.35 g/mol. Its IUPAC name is 4,4-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
PubChem CID81014967
Molecular FormulaC16H22F3N
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC Name4,4-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
SMILESCC1(C)CCC(N)C(Cc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C16H22F3N/c1-15(2)8-7-14(20)12(10-15)9-11-3-5-13(6-4-11)16(17,18)19/h3-6,12,14H,7-10,20H2,1-2H3
InChIKeyZUFVLIVQOLQFPI-UHFFFAOYSA-N
XLogP4.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 83261999
1-[4,4-dimethyl-2-[4-(trifluoromethyl)phenyl]cyclohexyl]-N-methylmethanamine
CID 81021876
2,4,4-trimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol
CID 81304989
4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 62620107
1-(cyclohexylmethyl)-4-(trifluoromethyl)benzene
CID 67129674
4,4-dimethyl-2-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine
CID 107059021
3,3-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclopentan-1-amine
CID 80705463
5,5-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazinane
CID 117226889
3,3,5-trimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 63407936
3-amino-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol
CID 80562098
5,5-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazinane;hydrochloride
CID 117226888
N-[[2-[[4-(trifluoromethyl)phenyl]methyl]cyclopentyl]methyl]cyclopropanamine
CID 81026989

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine?
The IUPAC name of 4,4-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine (CID 81014967) is 4,4-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 4,4-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine?
The canonical SMILES for 4,4-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine is CC1(C)CCC(N)C(Cc2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 4,4-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine?
The InChIKey is ZUFVLIVQOLQFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N/c1-15(2)8-7-14(20)12(10-15)9-11-3-5-13(6-4-11)16(17,18)19/h3-6,12,14H,7-10,20H2,1-2H3.
What are the key properties of 4,4-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine?
4,4-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine has a molecular weight of 285.35 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 81014967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).