N-[(4-fluoro-3-morpholin-4-ylphenyl)methyl]propan-1-amine

C14H21FN2O — CID 84753782

IUPACN-[(4-fluoro-3-morpholin-4-ylphenyl)methyl]propan-1-amine
SMILESCCCNCc1ccc(F)c(N2CCOCC2)c1
InChIInChI=1S/C14H21FN2O/c1-2-5-16-11-12-3-4-13(15)14(10-12)17-6-8-18-9-7-17/h3-4,10,16H,2,5-9,11H2,1H3
InChIKeyWMOSDLATROVYOQ-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.16
Rot. Bonds5

About N-[(4-fluoro-3-morpholin-4-ylphenyl)methyl]propan-1-amine

N-[(4-fluoro-3-morpholin-4-ylphenyl)methyl]propan-1-amine (PubChem CID 84753782) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is N-[(4-fluoro-3-morpholin-4-ylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-fluoro-3-morpholin-4-ylphenyl)methyl]propan-1-amine
PubChem CID84753782
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC NameN-[(4-fluoro-3-morpholin-4-ylphenyl)methyl]propan-1-amine
SMILESCCCNCc1ccc(F)c(N2CCOCC2)c1
InChIInChI=1S/C14H21FN2O/c1-2-5-16-11-12-3-4-13(15)14(10-12)17-6-8-18-9-7-17/h3-4,10,16H,2,5-9,11H2,1H3
InChIKeyWMOSDLATROVYOQ-UHFFFAOYSA-N
XLogP2.16
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.16
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

N-[[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methyl]propan-1-amine
CID 84753615
N-[(4-fluoro-3-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 84753474
N-[[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 84753620
N-[(3-methoxy-4-morpholin-4-ylphenyl)methyl]butan-1-amine
CID 84754536
N-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-fluorophenyl]methyl]butan-1-amine
CID 84753457
N-[[3-(azepan-1-yl)-4-fluorophenyl]methyl]-3-ethoxypropan-1-amine
CID 84753248
N-[[3-fluoro-4-(4-methyl-1,4-diazepan-1-yl)phenyl]methyl]propan-1-amine
CID 43281323
3-[[3-(4-ethylpiperazin-1-yl)-4-fluorophenyl]methylamino]propanoic acid
CID 84753447
N-[(4-fluoro-3-piperidin-1-ylphenyl)methyl]-2-phenylethanamine
CID 84753885
N-[[4-fluoro-3-(3-methylpiperidin-1-yl)phenyl]methyl]butan-1-amine
CID 84753315
4-fluoro-N-methyl-3-morpholin-4-ylaniline
CID 145213441
N-[(3,4-difluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 28672164

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-morpholin-4-ylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-fluoro-3-morpholin-4-ylphenyl)methyl]propan-1-amine (CID 84753782) is N-[(4-fluoro-3-morpholin-4-ylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-fluoro-3-morpholin-4-ylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-fluoro-3-morpholin-4-ylphenyl)methyl]propan-1-amine is CCCNCc1ccc(F)c(N2CCOCC2)c1.
What is the InChIKey of N-[(4-fluoro-3-morpholin-4-ylphenyl)methyl]propan-1-amine?
The InChIKey is WMOSDLATROVYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-2-5-16-11-12-3-4-13(15)14(10-12)17-6-8-18-9-7-17/h3-4,10,16H,2,5-9,11H2,1H3.
What are the key properties of N-[(4-fluoro-3-morpholin-4-ylphenyl)methyl]propan-1-amine?
N-[(4-fluoro-3-morpholin-4-ylphenyl)methyl]propan-1-amine has a molecular weight of 252.33 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-morpholin-4-ylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 84753782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).