1-[(5-ethylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine

C14H20F3NS — CID 64756146

IUPAC1-[(5-ethylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCCc1ccc(CC2(N)CCC(C(F)(F)F)CC2)s1
InChIInChI=1S/C14H20F3NS/c1-2-11-3-4-12(19-11)9-13(18)7-5-10(6-8-13)14(15,16)17/h3-4,10H,2,5-9,18H2,1H3
InChIKeyLNVSZUVKOHXSBZ-UHFFFAOYSA-N
MW291.38 g/mol
LogP4.30
Rot. Bonds3

About 1-[(5-ethylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine

1-[(5-ethylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64756146) has the molecular formula C14H20F3NS and a molecular weight of 291.38 g/mol. Its IUPAC name is 1-[(5-ethylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-[(5-ethylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64756146
Molecular FormulaC14H20F3NS
Molecular Weight291.38 g/mol
Exact Mass291.13
IUPAC Name1-[(5-ethylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCCc1ccc(CC2(N)CCC(C(F)(F)F)CC2)s1
InChIInChI=1S/C14H20F3NS/c1-2-11-3-4-12(19-11)9-13(18)7-5-10(6-8-13)14(15,16)17/h3-4,10H,2,5-9,18H2,1H3
InChIKeyLNVSZUVKOHXSBZ-UHFFFAOYSA-N
XLogP4.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-[(5-ethylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine (CID 64756146) is 1-[(5-ethylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-[(5-ethylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-[(5-ethylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine is CCc1ccc(CC2(N)CCC(C(F)(F)F)CC2)s1.
What is the InChIKey of 1-[(5-ethylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is LNVSZUVKOHXSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NS/c1-2-11-3-4-12(19-11)9-13(18)7-5-10(6-8-13)14(15,16)17/h3-4,10H,2,5-9,18H2,1H3.
What are the key properties of 1-[(5-ethylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
1-[(5-ethylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 291.38 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64756146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).