N-[(2-fluoro-3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine

C14H21FN2O2 — CID 104791505

IUPACN-[(2-fluoro-3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine
SMILESCOc1cccc(CNCCN2CCOCC2)c1F
InChIInChI=1S/C14H21FN2O2/c1-18-13-4-2-3-12(14(13)15)11-16-5-6-17-7-9-19-10-8-17/h2-4,16H,5-11H2,1H3
InChIKeyNUWJUXPQYZJVJA-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.26
Rot. Bonds6

About N-[(2-fluoro-3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine

N-[(2-fluoro-3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine (PubChem CID 104791505) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is N-[(2-fluoro-3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[(2-fluoro-3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine
PubChem CID104791505
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC NameN-[(2-fluoro-3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine
SMILESCOc1cccc(CNCCN2CCOCC2)c1F
InChIInChI=1S/C14H21FN2O2/c1-18-13-4-2-3-12(14(13)15)11-16-5-6-17-7-9-19-10-8-17/h2-4,16H,5-11H2,1H3
InChIKeyNUWJUXPQYZJVJA-UHFFFAOYSA-N
XLogP1.26
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2,5-difluorophenyl)methyl]-2-morpholin-4-ylethanamine
CID 43312645
N-[(2-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethylamino)acetamide
CID 108994758
N-[(2-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;oxalic acid
CID 17053127
N-[(2-methylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 2968793
N-tert-butyl-2-[2-methoxy-6-[(2-morpholin-4-ylethylamino)methyl]phenoxy]acetamide;dihydrochloride
CID 17053452
N-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-morpholin-4-ylethanamine
CID 66537734
N-[(2-cyclopentyloxyphenyl)methyl]-2-morpholin-4-ylethanamine
CID 39433302
2-[2-methoxy-6-[(3-morpholin-4-ylpropylamino)methyl]phenoxy]acetamide
CID 17053298
N-[(2-methoxy-5-nitrophenyl)methyl]-2-morpholin-4-ylethanamine
CID 43212568
N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 6471431
N-[(2-fluoro-3-methoxyphenyl)methyl]-N',N'-dimethylbutane-1,4-diamine
CID 113453546
2-cyclopentyl-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 104791607

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine?
The IUPAC name of N-[(2-fluoro-3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine (CID 104791505) is N-[(2-fluoro-3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-[(2-fluoro-3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine?
The canonical SMILES for N-[(2-fluoro-3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine is COc1cccc(CNCCN2CCOCC2)c1F.
What is the InChIKey of N-[(2-fluoro-3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine?
The InChIKey is NUWJUXPQYZJVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-18-13-4-2-3-12(14(13)15)11-16-5-6-17-7-9-19-10-8-17/h2-4,16H,5-11H2,1H3.
What are the key properties of N-[(2-fluoro-3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine?
N-[(2-fluoro-3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine has a molecular weight of 268.33 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine is sourced from PubChem (CID 104791505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).