N-[(4-cyclopropylphenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine

C17H22F3N — CID 79969876

IUPACN-[(4-cyclopropylphenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCC(NCc2ccc(C3CC3)cc2)CC1
InChIInChI=1S/C17H22F3N/c18-17(19,20)15-7-9-16(10-8-15)21-11-12-1-3-13(4-2-12)14-5-6-14/h1-4,14-16,21H,5-11H2
InChIKeyITTBLKYNZHQATN-UHFFFAOYSA-N
MW297.36 g/mol
LogP4.77
Rot. Bonds4

About N-[(4-cyclopropylphenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine

N-[(4-cyclopropylphenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 79969876) has the molecular formula C17H22F3N and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[(4-cyclopropylphenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(4-cyclopropylphenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID79969876
Molecular FormulaC17H22F3N
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC NameN-[(4-cyclopropylphenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCC(NCc2ccc(C3CC3)cc2)CC1
InChIInChI=1S/C17H22F3N/c18-17(19,20)15-7-9-16(10-8-15)21-11-12-1-3-13(4-2-12)14-5-6-14/h1-4,14-16,21H,5-11H2
InChIKeyITTBLKYNZHQATN-UHFFFAOYSA-N
XLogP4.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[4-[4-(trifluoromethyl)cyclohexyl]phenyl]methanol
CID 67158902
4-[(4-cyclopropylphenyl)methylamino]cyclohexan-1-ol
CID 79979753
4-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]benzene-1,2-diol
CID 43434626
4-[(4-cyclopropylphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 79977776
N-[[3-(methoxymethyl)phenyl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754469
N-[(3-nitrophenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43434614
N-[[4-(trifluoromethyl)phenyl]methyl]cyclopentanamine
CID 4264836
N-(1,2-oxazol-3-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 81171188
4-[(4-cyclopentylphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 122039059
N-[(4-cyclopropylphenyl)methyl]-3-ethylcyclohexan-1-amine
CID 79983701
N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 43434617
N-(pyrimidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 62747106

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropylphenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[(4-cyclopropylphenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine (CID 79969876) is N-[(4-cyclopropylphenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[(4-cyclopropylphenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[(4-cyclopropylphenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine is FC(F)(F)C1CCC(NCc2ccc(C3CC3)cc2)CC1.
What is the InChIKey of N-[(4-cyclopropylphenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is ITTBLKYNZHQATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N/c18-17(19,20)15-7-9-16(10-8-15)21-11-12-1-3-13(4-2-12)14-5-6-14/h1-4,14-16,21H,5-11H2.
What are the key properties of N-[(4-cyclopropylphenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
N-[(4-cyclopropylphenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 297.36 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopropylphenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 79969876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).