N-[(4-ethylmorpholin-2-yl)methyl]-4,4,4-trifluorobutan-2-amine

C11H21F3N2O — CID 103931823

IUPACN-[(4-ethylmorpholin-2-yl)methyl]-4,4,4-trifluorobutan-2-amine
SMILESCCN1CCOC(CNC(C)CC(F)(F)F)C1
InChIInChI=1S/C11H21F3N2O/c1-3-16-4-5-17-10(8-16)7-15-9(2)6-11(12,13)14/h9-10,15H,3-8H2,1-2H3
InChIKeyKHVSKZYKJNMJHX-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.64
Rot. Bonds5

About N-[(4-ethylmorpholin-2-yl)methyl]-4,4,4-trifluorobutan-2-amine

N-[(4-ethylmorpholin-2-yl)methyl]-4,4,4-trifluorobutan-2-amine (PubChem CID 103931823) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is N-[(4-ethylmorpholin-2-yl)methyl]-4,4,4-trifluorobutan-2-amine.

Molecular Properties

Compound NameN-[(4-ethylmorpholin-2-yl)methyl]-4,4,4-trifluorobutan-2-amine
PubChem CID103931823
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC NameN-[(4-ethylmorpholin-2-yl)methyl]-4,4,4-trifluorobutan-2-amine
SMILESCCN1CCOC(CNC(C)CC(F)(F)F)C1
InChIInChI=1S/C11H21F3N2O/c1-3-16-4-5-17-10(8-16)7-15-9(2)6-11(12,13)14/h9-10,15H,3-8H2,1-2H3
InChIKeyKHVSKZYKJNMJHX-UHFFFAOYSA-N
XLogP1.64
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethylmorpholin-2-yl)methyl]-6-methylheptan-2-amine
CID 79166729
N-[(4-ethylmorpholin-2-yl)methyl]-1-ethylsulfonylpropan-2-amine
CID 115919948
1-cyclopropyl-N-[(4-ethylmorpholin-2-yl)methyl]propan-2-amine
CID 79166353
3-N-[(4-ethylmorpholin-2-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 79164421
3-[(4-ethylmorpholin-2-yl)methylamino]butanoic acid
CID 114399804
N-[(4-ethylmorpholin-2-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 79165763
N-[(4-ethylmorpholin-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 115919969
2,4-diethylmorpholine
CID 58988021
(1S)-N-[(4-ethylmorpholin-2-yl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81347515
(1S)-N-[(4-ethylmorpholin-2-yl)methyl]-1-phenylethanamine
CID 79165339
N-ethyl-2-[(4-ethylmorpholin-2-yl)methylamino]propanamide
CID 78960400
N-[(4-ethylmorpholin-2-yl)methyl]-1-methoxybutan-2-amine
CID 79164627

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-4,4,4-trifluorobutan-2-amine?
The IUPAC name of N-[(4-ethylmorpholin-2-yl)methyl]-4,4,4-trifluorobutan-2-amine (CID 103931823) is N-[(4-ethylmorpholin-2-yl)methyl]-4,4,4-trifluorobutan-2-amine.
What is the SMILES notation for N-[(4-ethylmorpholin-2-yl)methyl]-4,4,4-trifluorobutan-2-amine?
The canonical SMILES for N-[(4-ethylmorpholin-2-yl)methyl]-4,4,4-trifluorobutan-2-amine is CCN1CCOC(CNC(C)CC(F)(F)F)C1.
What is the InChIKey of N-[(4-ethylmorpholin-2-yl)methyl]-4,4,4-trifluorobutan-2-amine?
The InChIKey is KHVSKZYKJNMJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-3-16-4-5-17-10(8-16)7-15-9(2)6-11(12,13)14/h9-10,15H,3-8H2,1-2H3.
What are the key properties of N-[(4-ethylmorpholin-2-yl)methyl]-4,4,4-trifluorobutan-2-amine?
N-[(4-ethylmorpholin-2-yl)methyl]-4,4,4-trifluorobutan-2-amine has a molecular weight of 254.30 g/mol, XLogP of 1.64, 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]-4,4,4-trifluorobutan-2-amine is sourced from PubChem (CID 103931823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).