1-(3-propylimidazol-4-yl)-N-(2,2,2-trifluoroethoxy)methanamine

C9H14F3N3O — CID 82712244

IUPAC1-(3-propylimidazol-4-yl)-N-(2,2,2-trifluoroethoxy)methanamine
SMILESCCCn1cncc1CNOCC(F)(F)F
InChIInChI=1S/C9H14F3N3O/c1-2-3-15-7-13-4-8(15)5-14-16-6-9(10,11)12/h4,7,14H,2-3,5-6H2,1H3
InChIKeyYUBIWCZFISZVHK-UHFFFAOYSA-N
MW237.22 g/mol
LogP1.88
Rot. Bonds6

About 1-(3-propylimidazol-4-yl)-N-(2,2,2-trifluoroethoxy)methanamine

1-(3-propylimidazol-4-yl)-N-(2,2,2-trifluoroethoxy)methanamine (PubChem CID 82712244) has the molecular formula C9H14F3N3O and a molecular weight of 237.22 g/mol. Its IUPAC name is 1-(3-propylimidazol-4-yl)-N-(2,2,2-trifluoroethoxy)methanamine.

Molecular Properties

Compound Name1-(3-propylimidazol-4-yl)-N-(2,2,2-trifluoroethoxy)methanamine
PubChem CID82712244
Molecular FormulaC9H14F3N3O
Molecular Weight237.22 g/mol
Exact Mass237.11
IUPAC Name1-(3-propylimidazol-4-yl)-N-(2,2,2-trifluoroethoxy)methanamine
SMILESCCCn1cncc1CNOCC(F)(F)F
InChIInChI=1S/C9H14F3N3O/c1-2-3-15-7-13-4-8(15)5-14-16-6-9(10,11)12/h4,7,14H,2-3,5-6H2,1H3
InChIKeyYUBIWCZFISZVHK-UHFFFAOYSA-N
XLogP1.88
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3-propylimidazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 66129988
N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]propan-2-amine
CID 66151819
N-[(3-propylimidazol-4-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 66133126
2,4,6-trifluoro-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66129397
N-[(3-propylimidazol-4-yl)methyl]piperidin-1-amine
CID 83007579
2-(3-methylbutoxy)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 66130579
N-[(3-propylimidazol-4-yl)methyl]-4-(trifluoromethylsulfanyl)aniline
CID 66129543
5-methyl-N-[(3-propylimidazol-4-yl)methyl]hexan-2-amine
CID 66133962
1-(4-ethylphenyl)-N-[(3-propylimidazol-4-yl)methyl]methanamine
CID 106899534
2-methoxy-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine
CID 102696680
1,3-dimethyl-N-[(3-propylimidazol-4-yl)methyl]pyrazol-4-amine
CID 102804515
3-[(3-propylimidazol-4-yl)methylamino]propanoic acid
CID 66133554

Frequently Asked Questions

What is the IUPAC name of 1-(3-propylimidazol-4-yl)-N-(2,2,2-trifluoroethoxy)methanamine?
The IUPAC name of 1-(3-propylimidazol-4-yl)-N-(2,2,2-trifluoroethoxy)methanamine (CID 82712244) is 1-(3-propylimidazol-4-yl)-N-(2,2,2-trifluoroethoxy)methanamine.
What is the SMILES notation for 1-(3-propylimidazol-4-yl)-N-(2,2,2-trifluoroethoxy)methanamine?
The canonical SMILES for 1-(3-propylimidazol-4-yl)-N-(2,2,2-trifluoroethoxy)methanamine is CCCn1cncc1CNOCC(F)(F)F.
What is the InChIKey of 1-(3-propylimidazol-4-yl)-N-(2,2,2-trifluoroethoxy)methanamine?
The InChIKey is YUBIWCZFISZVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O/c1-2-3-15-7-13-4-8(15)5-14-16-6-9(10,11)12/h4,7,14H,2-3,5-6H2,1H3.
What are the key properties of 1-(3-propylimidazol-4-yl)-N-(2,2,2-trifluoroethoxy)methanamine?
1-(3-propylimidazol-4-yl)-N-(2,2,2-trifluoroethoxy)methanamine has a molecular weight of 237.22 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propylimidazol-4-yl)-N-(2,2,2-trifluoroethoxy)methanamine is sourced from PubChem (CID 82712244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).