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

C15H23F3N2O — CID 66413129

IUPACN-[(1-ethylpyrrol-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCCn1cccc1CNC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C15H23F3N2O/c1-2-20-8-4-6-13(20)10-19-12-5-3-7-14(9-12)21-11-15(16,17)18/h4,6,8,12,14,19H,2-3,5,7,9-11H2,1H3
InChIKeyIUDVPIZGLGRBPT-UHFFFAOYSA-N
MW304.36 g/mol
LogP3.49
Rot. Bonds6

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

N-[(1-ethylpyrrol-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (PubChem CID 66413129) has the molecular formula C15H23F3N2O and a molecular weight of 304.36 g/mol. Its IUPAC name is N-[(1-ethylpyrrol-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrol-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
PubChem CID66413129
Molecular FormulaC15H23F3N2O
Molecular Weight304.36 g/mol
Exact Mass304.18
IUPAC NameN-[(1-ethylpyrrol-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCCn1cccc1CNC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C15H23F3N2O/c1-2-20-8-4-6-13(20)10-19-12-5-3-7-14(9-12)21-11-15(16,17)18/h4,6,8,12,14,19H,2-3,5,7,9-11H2,1H3
InChIKeyIUDVPIZGLGRBPT-UHFFFAOYSA-N
XLogP3.49
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrol-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The IUPAC name of N-[(1-ethylpyrrol-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (CID 66413129) is N-[(1-ethylpyrrol-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.
What is the SMILES notation for N-[(1-ethylpyrrol-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The canonical SMILES for N-[(1-ethylpyrrol-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is CCn1cccc1CNC1CCCC(OCC(F)(F)F)C1.
What is the InChIKey of N-[(1-ethylpyrrol-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The InChIKey is IUDVPIZGLGRBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2O/c1-2-20-8-4-6-13(20)10-19-12-5-3-7-14(9-12)21-11-15(16,17)18/h4,6,8,12,14,19H,2-3,5,7,9-11H2,1H3.
What are the key properties of N-[(1-ethylpyrrol-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
N-[(1-ethylpyrrol-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine has a molecular weight of 304.36 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrol-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is sourced from PubChem (CID 66413129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).