N-[(4-ethylmorpholin-2-yl)methyl]-3,3,3-trifluoropropan-1-amine

C10H19F3N2O — CID 79165763

IUPACN-[(4-ethylmorpholin-2-yl)methyl]-3,3,3-trifluoropropan-1-amine
SMILESCCN1CCOC(CNCCC(F)(F)F)C1
InChIInChI=1S/C10H19F3N2O/c1-2-15-5-6-16-9(8-15)7-14-4-3-10(11,12)13/h9,14H,2-8H2,1H3
InChIKeyCPTFESBBXXOBRU-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.25
Rot. Bonds5

About N-[(4-ethylmorpholin-2-yl)methyl]-3,3,3-trifluoropropan-1-amine

N-[(4-ethylmorpholin-2-yl)methyl]-3,3,3-trifluoropropan-1-amine (PubChem CID 79165763) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is N-[(4-ethylmorpholin-2-yl)methyl]-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound NameN-[(4-ethylmorpholin-2-yl)methyl]-3,3,3-trifluoropropan-1-amine
PubChem CID79165763
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC NameN-[(4-ethylmorpholin-2-yl)methyl]-3,3,3-trifluoropropan-1-amine
SMILESCCN1CCOC(CNCCC(F)(F)F)C1
InChIInChI=1S/C10H19F3N2O/c1-2-15-5-6-16-9(8-15)7-14-4-3-10(11,12)13/h9,14H,2-8H2,1H3
InChIKeyCPTFESBBXXOBRU-UHFFFAOYSA-N
XLogP1.25
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-ethylmorpholin-2-yl)methyl]-3-methoxy-3-methylbutan-1-amine
CID 103033653
N-[(4-ethylmorpholin-2-yl)methyl]-2-ethylsulfanylethanamine
CID 114399810
N-[(4-ethylmorpholin-2-yl)methyl]-6-iodohexan-1-amine
CID 107845055
3-bromo-N-[(4-ethylmorpholin-2-yl)methyl]propan-1-amine
CID 114293488
2-cyclohexyl-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine
CID 79163993
N-[(4-ethylmorpholin-2-yl)methyl]-4,4,4-trifluorobutan-2-amine
CID 103931823
N-[(4-ethylmorpholin-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 79165338
2-tert-butylsulfonyl-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine
CID 103710582
N-[(4-ethylmorpholin-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 115626301
N-[(4-ethylmorpholin-2-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 79164867
2-[[(4-ethylmorpholin-2-yl)methylamino]methyl]-2-methylpropane-1,3-diol
CID 114399765
3-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2,2-dimethylpropan-1-amine
CID 115363535

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-3,3,3-trifluoropropan-1-amine?
The IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-3,3,3-trifluoropropan-1-amine (CID 79165763) is N-[(4-ethylmorpholin-2-yl)methyl]-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for N-[(4-ethylmorpholin-2-yl)methyl]-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for N-[(4-ethylmorpholin-2-yl)methyl]-3,3,3-trifluoropropan-1-amine is CCN1CCOC(CNCCC(F)(F)F)C1.
What is the InChIKey of N-[(4-ethylmorpholin-2-yl)methyl]-3,3,3-trifluoropropan-1-amine?
The InChIKey is CPTFESBBXXOBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-2-15-5-6-16-9(8-15)7-14-4-3-10(11,12)13/h9,14H,2-8H2,1H3.
What are the key properties of N-[(4-ethylmorpholin-2-yl)methyl]-3,3,3-trifluoropropan-1-amine?
N-[(4-ethylmorpholin-2-yl)methyl]-3,3,3-trifluoropropan-1-amine has a molecular weight of 240.27 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylmorpholin-2-yl)methyl]-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 79165763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).