N-[(3-fluoro-2-morpholin-4-yl-4-pyridinyl)methyl]ethanamine

C12H18FN3O — CID 105388738

IUPACN-[(3-fluoro-2-morpholin-4-yl-4-pyridinyl)methyl]ethanamine
SMILESCCNCc1ccnc(N2CCOCC2)c1F
InChIInChI=1S/C12H18FN3O/c1-2-14-9-10-3-4-15-12(11(10)13)16-5-7-17-8-6-16/h3-4,14H,2,5-9H2,1H3
InChIKeyDHGUBXATGAMSCQ-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.17
Rot. Bonds4

About N-[(3-fluoro-2-morpholin-4-yl-4-pyridinyl)methyl]ethanamine

N-[(3-fluoro-2-morpholin-4-yl-4-pyridinyl)methyl]ethanamine (PubChem CID 105388738) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is N-[(3-fluoro-2-morpholin-4-yl-4-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-fluoro-2-morpholin-4-yl-4-pyridinyl)methyl]ethanamine
PubChem CID105388738
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC NameN-[(3-fluoro-2-morpholin-4-yl-4-pyridinyl)methyl]ethanamine
SMILESCCNCc1ccnc(N2CCOCC2)c1F
InChIInChI=1S/C12H18FN3O/c1-2-14-9-10-3-4-15-12(11(10)13)16-5-7-17-8-6-16/h3-4,14H,2,5-9H2,1H3
InChIKeyDHGUBXATGAMSCQ-UHFFFAOYSA-N
XLogP1.17
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(4-ethoxypiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 105389234
N-[[2-(7,7-dimethyl-1,4-thiazepan-4-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 107459593
1-[4-(ethylaminomethyl)-3-fluoro-2-pyridinyl]-N,N-dimethylpiperidin-3-amine
CID 105390071
N-[[3-fluoro-2-[3-(trifluoromethyl)piperidin-1-yl]-4-pyridinyl]methyl]ethanamine
CID 105390053
N-[(3-fluoro-2-piperidin-1-yl-4-pyridinyl)methyl]-2-methylpropan-1-amine
CID 105388882
N-[[3-fluoro-2-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 105388920
N-[[2-(4-ethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methyl]propan-1-amine
CID 105389675
1-[3-fluoro-2-(4-methylpiperidin-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 105388731
1-[3-fluoro-2-(2-methylmorpholin-4-yl)-4-pyridinyl]-N-methylmethanamine
CID 105388790
N-[[3-fluoro-2-(oxan-4-yloxy)-4-pyridinyl]methyl]ethanamine
CID 105390729
1-[2-(4-ethyl-4-methylpiperidin-1-yl)-3-fluoro-4-pyridinyl]-N-methylmethanamine
CID 105389819
N-[[3-fluoro-2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105388788

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-2-morpholin-4-yl-4-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(3-fluoro-2-morpholin-4-yl-4-pyridinyl)methyl]ethanamine (CID 105388738) is N-[(3-fluoro-2-morpholin-4-yl-4-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-fluoro-2-morpholin-4-yl-4-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(3-fluoro-2-morpholin-4-yl-4-pyridinyl)methyl]ethanamine is CCNCc1ccnc(N2CCOCC2)c1F.
What is the InChIKey of N-[(3-fluoro-2-morpholin-4-yl-4-pyridinyl)methyl]ethanamine?
The InChIKey is DHGUBXATGAMSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-2-14-9-10-3-4-15-12(11(10)13)16-5-7-17-8-6-16/h3-4,14H,2,5-9H2,1H3.
What are the key properties of N-[(3-fluoro-2-morpholin-4-yl-4-pyridinyl)methyl]ethanamine?
N-[(3-fluoro-2-morpholin-4-yl-4-pyridinyl)methyl]ethanamine has a molecular weight of 239.29 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-2-morpholin-4-yl-4-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 105388738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).