N-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]morpholin-3-yl]methyl]ethanamine

C13H17ClF3N3O — CID 83106018

IUPACN-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]morpholin-3-yl]methyl]ethanamine
SMILESCCNCC1COCCN1c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H17ClF3N3O/c1-2-18-7-10-8-21-4-3-20(10)12-11(14)5-9(6-19-12)13(15,16)17/h5-6,10,18H,2-4,7-8H2,1H3
InChIKeyUWHXRIHKEFWLCH-UHFFFAOYSA-N
MW323.75 g/mol
LogP2.57
Rot. Bonds4

About N-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]morpholin-3-yl]methyl]ethanamine

N-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]morpholin-3-yl]methyl]ethanamine (PubChem CID 83106018) has the molecular formula C13H17ClF3N3O and a molecular weight of 323.75 g/mol. Its IUPAC name is N-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]morpholin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]morpholin-3-yl]methyl]ethanamine
PubChem CID83106018
Molecular FormulaC13H17ClF3N3O
Molecular Weight323.75 g/mol
Exact Mass323.10
IUPAC NameN-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]morpholin-3-yl]methyl]ethanamine
SMILESCCNCC1COCCN1c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H17ClF3N3O/c1-2-18-7-10-8-21-4-3-20(10)12-11(14)5-9(6-19-12)13(15,16)17/h5-6,10,18H,2-4,7-8H2,1H3
InChIKeyUWHXRIHKEFWLCH-UHFFFAOYSA-N
XLogP2.57
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.75
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methyl]ethanamine
CID 62592867
N-[[4-(5-bromo-3-chloro-2-pyridinyl)morpholin-3-yl]methyl]propan-1-amine
CID 103584045
N-[[4-(3-bromo-5-methyl-2-pyridinyl)morpholin-3-yl]methyl]ethanamine
CID 105368651
N-[[4-(5-tert-butyl-2-pyridinyl)morpholin-3-yl]methyl]ethanamine
CID 107875507
N-[[5-chloro-6-(3-ethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62283822
N-[[4-[6-(trifluoromethyl)pyridazin-3-yl]morpholin-3-yl]methyl]ethanamine
CID 83105734
3-chloro-2-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine
CID 102785855
N-[(4-pyrazin-2-ylmorpholin-3-yl)methyl]ethanamine
CID 83105613
2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]acetic acid
CID 61370313
3-chloro-2-[2-(2-chloroethyl)piperidin-1-yl]-5-(trifluoromethyl)pyridine
CID 63392201
N-[(4-quinazolin-2-ylmorpholin-3-yl)methyl]ethanamine
CID 114789779
N-[[4-(2-methylpyrimidin-4-yl)morpholin-3-yl]methyl]ethanamine
CID 83105196

Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]morpholin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]morpholin-3-yl]methyl]ethanamine (CID 83106018) is N-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]morpholin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]morpholin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]morpholin-3-yl]methyl]ethanamine is CCNCC1COCCN1c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of N-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]morpholin-3-yl]methyl]ethanamine?
The InChIKey is UWHXRIHKEFWLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClF3N3O/c1-2-18-7-10-8-21-4-3-20(10)12-11(14)5-9(6-19-12)13(15,16)17/h5-6,10,18H,2-4,7-8H2,1H3.
What are the key properties of N-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]morpholin-3-yl]methyl]ethanamine?
N-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]morpholin-3-yl]methyl]ethanamine has a molecular weight of 323.75 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]morpholin-3-yl]methyl]ethanamine is sourced from PubChem (CID 83106018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).