N-[(4-ethylmorpholin-2-yl)methyl]-3,4,5-trifluoroaniline

C13H17F3N2O — CID 79165761

IUPACN-[(4-ethylmorpholin-2-yl)methyl]-3,4,5-trifluoroaniline
SMILESCCN1CCOC(CNc2cc(F)c(F)c(F)c2)C1
InChIInChI=1S/C13H17F3N2O/c1-2-18-3-4-19-10(8-18)7-17-9-5-11(14)13(16)12(15)6-9/h5-6,10,17H,2-4,7-8H2,1H3
InChIKeyWCHQSLQWPQOTEO-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.24
Rot. Bonds4

About N-[(4-ethylmorpholin-2-yl)methyl]-3,4,5-trifluoroaniline

N-[(4-ethylmorpholin-2-yl)methyl]-3,4,5-trifluoroaniline (PubChem CID 79165761) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is N-[(4-ethylmorpholin-2-yl)methyl]-3,4,5-trifluoroaniline.

Molecular Properties

Compound NameN-[(4-ethylmorpholin-2-yl)methyl]-3,4,5-trifluoroaniline
PubChem CID79165761
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC NameN-[(4-ethylmorpholin-2-yl)methyl]-3,4,5-trifluoroaniline
SMILESCCN1CCOC(CNc2cc(F)c(F)c(F)c2)C1
InChIInChI=1S/C13H17F3N2O/c1-2-18-3-4-19-10(8-18)7-17-9-5-11(14)13(16)12(15)6-9/h5-6,10,17H,2-4,7-8H2,1H3
InChIKeyWCHQSLQWPQOTEO-UHFFFAOYSA-N
XLogP2.24
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoroaniline
CID 79166710
N-[(4-ethylmorpholin-2-yl)methyl]pyridin-4-amine
CID 114400660
4-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylaniline
CID 79165325
6-ethyl-N-[(4-ethylmorpholin-2-yl)methyl]-5-fluoropyrimidin-4-amine
CID 103880098
N-[(4-ethylmorpholin-2-yl)methyl]-4-propylaniline
CID 79166530
N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoro-2-methylaniline
CID 79166538
5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoropyridin-2-amine
CID 115681758
2-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-4-fluoroaniline
CID 79164853
1-N-[(4-ethylmorpholin-2-yl)methyl]-3-fluorobenzene-1,2-diamine
CID 114399471
N-[(4-ethylmorpholin-2-yl)methyl]-4-methoxy-3-methylaniline
CID 79166344
4-[(4-ethylmorpholin-2-yl)methylamino]-N-methylbenzenesulfonamide
CID 114400653
4-[(4-ethylmorpholin-2-yl)methylamino]-3-fluorobenzonitrile
CID 78952508

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-3,4,5-trifluoroaniline?
The IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-3,4,5-trifluoroaniline (CID 79165761) is N-[(4-ethylmorpholin-2-yl)methyl]-3,4,5-trifluoroaniline.
What is the SMILES notation for N-[(4-ethylmorpholin-2-yl)methyl]-3,4,5-trifluoroaniline?
The canonical SMILES for N-[(4-ethylmorpholin-2-yl)methyl]-3,4,5-trifluoroaniline is CCN1CCOC(CNc2cc(F)c(F)c(F)c2)C1.
What is the InChIKey of N-[(4-ethylmorpholin-2-yl)methyl]-3,4,5-trifluoroaniline?
The InChIKey is WCHQSLQWPQOTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-2-18-3-4-19-10(8-18)7-17-9-5-11(14)13(16)12(15)6-9/h5-6,10,17H,2-4,7-8H2,1H3.
What are the key properties of N-[(4-ethylmorpholin-2-yl)methyl]-3,4,5-trifluoroaniline?
N-[(4-ethylmorpholin-2-yl)methyl]-3,4,5-trifluoroaniline has a molecular weight of 274.29 g/mol, XLogP of 2.24, 4 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]-3,4,5-trifluoroaniline is sourced from PubChem (CID 79165761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).