N-[(3-methylthiophen-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

C14H20F3NOS — CID 43435223

IUPACN-[(3-methylthiophen-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCc1ccsc1CNC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C14H20F3NOS/c1-10-5-6-20-13(10)8-18-11-3-2-4-12(7-11)19-9-14(15,16)17/h5-6,11-12,18H,2-4,7-9H2,1H3
InChIKeyPCWVMNDGDLEBBL-UHFFFAOYSA-N
MW307.38 g/mol
LogP4.04
Rot. Bonds5

About N-[(3-methylthiophen-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

N-[(3-methylthiophen-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (PubChem CID 43435223) has the molecular formula C14H20F3NOS and a molecular weight of 307.38 g/mol. Its IUPAC name is N-[(3-methylthiophen-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(3-methylthiophen-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
PubChem CID43435223
Molecular FormulaC14H20F3NOS
Molecular Weight307.38 g/mol
Exact Mass307.12
IUPAC NameN-[(3-methylthiophen-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCc1ccsc1CNC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C14H20F3NOS/c1-10-5-6-20-13(10)8-18-11-3-2-4-12(7-11)19-9-14(15,16)17/h5-6,11-12,18H,2-4,7-9H2,1H3
InChIKeyPCWVMNDGDLEBBL-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (CID 43435223) is N-[(3-methylthiophen-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.
What is the SMILES notation for N-[(3-methylthiophen-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The canonical SMILES for N-[(3-methylthiophen-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is Cc1ccsc1CNC1CCCC(OCC(F)(F)F)C1.
What is the InChIKey of N-[(3-methylthiophen-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The InChIKey is PCWVMNDGDLEBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NOS/c1-10-5-6-20-13(10)8-18-11-3-2-4-12(7-11)19-9-14(15,16)17/h5-6,11-12,18H,2-4,7-9H2,1H3.
What are the key properties of N-[(3-methylthiophen-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
N-[(3-methylthiophen-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine has a molecular weight of 307.38 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylthiophen-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is sourced from PubChem (CID 43435223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).