N-(1H-pyrrol-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

C13H19F3N2O — CID 62339918

IUPACN-(1H-pyrrol-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESFC(F)(F)COC1CCCC(NCc2ccc[nH]2)C1
InChIInChI=1S/C13H19F3N2O/c14-13(15,16)9-19-12-5-1-3-10(7-12)18-8-11-4-2-6-17-11/h2,4,6,10,12,17-18H,1,3,5,7-9H2
InChIKeyABEFJFNXVCOIRA-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.99
Rot. Bonds5

About N-(1H-pyrrol-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

N-(1H-pyrrol-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (PubChem CID 62339918) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is N-(1H-pyrrol-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(1H-pyrrol-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
PubChem CID62339918
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC NameN-(1H-pyrrol-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESFC(F)(F)COC1CCCC(NCc2ccc[nH]2)C1
InChIInChI=1S/C13H19F3N2O/c14-13(15,16)9-19-12-5-1-3-10(7-12)18-8-11-4-2-6-17-11/h2,4,6,10,12,17-18H,1,3,5,7-9H2
InChIKeyABEFJFNXVCOIRA-UHFFFAOYSA-N
XLogP2.99
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrrol-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The IUPAC name of N-(1H-pyrrol-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (CID 62339918) is N-(1H-pyrrol-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.
What is the SMILES notation for N-(1H-pyrrol-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The canonical SMILES for N-(1H-pyrrol-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is FC(F)(F)COC1CCCC(NCc2ccc[nH]2)C1.
What is the InChIKey of N-(1H-pyrrol-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The InChIKey is ABEFJFNXVCOIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c14-13(15,16)9-19-12-5-1-3-10(7-12)18-8-11-4-2-6-17-11/h2,4,6,10,12,17-18H,1,3,5,7-9H2.
What are the key properties of N-(1H-pyrrol-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
N-(1H-pyrrol-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine has a molecular weight of 276.30 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrrol-2-ylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is sourced from PubChem (CID 62339918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).