N-[(2,5-difluorophenyl)methyl]-2-morpholin-4-ylethanamine

C13H18F2N2O — CID 43312645

IUPACN-[(2,5-difluorophenyl)methyl]-2-morpholin-4-ylethanamine
SMILESFc1ccc(F)c(CNCCN2CCOCC2)c1
InChIInChI=1S/C13H18F2N2O/c14-12-1-2-13(15)11(9-12)10-16-3-4-17-5-7-18-8-6-17/h1-2,9,16H,3-8,10H2
InChIKeyRAWLTSIBNFIXSS-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.39
Rot. Bonds5

About N-[(2,5-difluorophenyl)methyl]-2-morpholin-4-ylethanamine

N-[(2,5-difluorophenyl)methyl]-2-morpholin-4-ylethanamine (PubChem CID 43312645) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-2-morpholin-4-ylethanamine
PubChem CID43312645
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC NameN-[(2,5-difluorophenyl)methyl]-2-morpholin-4-ylethanamine
SMILESFc1ccc(F)c(CNCCN2CCOCC2)c1
InChIInChI=1S/C13H18F2N2O/c14-12-1-2-13(15)11(9-12)10-16-3-4-17-5-7-18-8-6-17/h1-2,9,16H,3-8,10H2
InChIKeyRAWLTSIBNFIXSS-UHFFFAOYSA-N
XLogP1.39
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.39
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

4-fluoro-3-[(2-morpholin-4-ylethylamino)methyl]benzonitrile
CID 28583075
1-[(2,5-difluorophenyl)methylamino]-3-morpholin-4-ylpropan-2-ol
CID 63032651
N-[(2-fluoro-3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine
CID 104791505
2-morpholin-4-yl-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
CID 43220541
N-[(3-fluoro-5-methylphenyl)methyl]-2-morpholin-4-ylethanamine
CID 90054696
4-fluoro-2-[(2-piperidin-1-ylethylamino)methyl]phenol
CID 103949282
2-[(2,5-difluorophenyl)methylamino]ethanethiol
CID 115223933
N-[(2-chloro-4-fluorophenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 60697863
N-[(3,4-difluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 28672164
N-[(2,5-difluorophenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115615001
N-[(2-bromo-5-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)ethanamine
CID 103866095
4-fluoro-2-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]phenol
CID 103948129

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-2-morpholin-4-ylethanamine?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-2-morpholin-4-ylethanamine (CID 43312645) is N-[(2,5-difluorophenyl)methyl]-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-2-morpholin-4-ylethanamine?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-2-morpholin-4-ylethanamine is Fc1ccc(F)c(CNCCN2CCOCC2)c1.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-2-morpholin-4-ylethanamine?
The InChIKey is RAWLTSIBNFIXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c14-12-1-2-13(15)11(9-12)10-16-3-4-17-5-7-18-8-6-17/h1-2,9,16H,3-8,10H2.
What are the key properties of N-[(2,5-difluorophenyl)methyl]-2-morpholin-4-ylethanamine?
N-[(2,5-difluorophenyl)methyl]-2-morpholin-4-ylethanamine has a molecular weight of 256.30 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-2-morpholin-4-ylethanamine is sourced from PubChem (CID 43312645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).