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

C14H21F3N2O — CID 62133143

IUPACN-[(1-methylpyrrol-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCn1cccc1CNC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C14H21F3N2O/c1-19-7-3-5-12(19)9-18-11-4-2-6-13(8-11)20-10-14(15,16)17/h3,5,7,11,13,18H,2,4,6,8-10H2,1H3
InChIKeyVAFJKUCFYPRJFX-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.00
Rot. Bonds5

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

N-[(1-methylpyrrol-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (PubChem CID 62133143) has the molecular formula C14H21F3N2O and a molecular weight of 290.33 g/mol. Its IUPAC name is N-[(1-methylpyrrol-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1-methylpyrrol-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
PubChem CID62133143
Molecular FormulaC14H21F3N2O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC NameN-[(1-methylpyrrol-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCn1cccc1CNC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C14H21F3N2O/c1-19-7-3-5-12(19)9-18-11-4-2-6-13(8-11)20-10-14(15,16)17/h3,5,7,11,13,18H,2,4,6,8-10H2,1H3
InChIKeyVAFJKUCFYPRJFX-UHFFFAOYSA-N
XLogP3.00
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,1-Trifluoro-3-[(1-methylpyrrol-2-yl)methylamino]propan-2-ol
CID 2738629
3-(1-methyl-1H-pyrrol-2-yl)morpholine
CID 75355390
3-cyclopentyloxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine
CID 141060050
3-propan-2-yloxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine
CID 141060087
3-(1,1,2,2-tetrafluoroethoxy)-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine
CID 141062732
2-[2-(2,2-difluoroethoxy)ethyl]-1H-pyrrole
CID 174952670
3-butoxy-N-[[1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]methyl]propan-1-amine
CID 3481194
N-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]-1-(oxolan-2-yl)methanamine
CID 4267478
3-butoxy-N-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]propan-1-amine
CID 4364235
(1-methylpyrrol-2-yl)methyl-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]azanium
CID 7221656
(2S)-1,1,1-trifluoro-3-[(1-methylpyrrol-2-yl)methylamino]propan-2-ol
CID 7221657
(1-methylpyrrol-2-yl)methyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium
CID 7221658

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (CID 62133143) is N-[(1-methylpyrrol-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.
What is the SMILES notation for N-[(1-methylpyrrol-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The canonical SMILES for N-[(1-methylpyrrol-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is Cn1cccc1CNC1CCCC(OCC(F)(F)F)C1.
What is the InChIKey of N-[(1-methylpyrrol-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The InChIKey is VAFJKUCFYPRJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O/c1-19-7-3-5-12(19)9-18-11-4-2-6-13(8-11)20-10-14(15,16)17/h3,5,7,11,13,18H,2,4,6,8-10H2,1H3.
What are the key properties of N-[(1-methylpyrrol-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
N-[(1-methylpyrrol-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine has a molecular weight of 290.33 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrol-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is sourced from PubChem (CID 62133143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).