[4-[(4-ethoxy-3-fluorophenyl)methyl]morpholin-2-yl]methanamine

C14H21FN2O2 — CID 120844436

IUPAC[4-[(4-ethoxy-3-fluorophenyl)methyl]morpholin-2-yl]methanamine
SMILESCCOc1ccc(CN2CCOC(CN)C2)cc1F
InChIInChI=1S/C14H21FN2O2/c1-2-18-14-4-3-11(7-13(14)15)9-17-5-6-19-12(8-16)10-17/h3-4,7,12H,2,5-6,8-10,16H2,1H3
InChIKeyNTYVIAFTPULJHK-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.38
Rot. Bonds5

About [4-[(4-ethoxy-3-fluorophenyl)methyl]morpholin-2-yl]methanamine

[4-[(4-ethoxy-3-fluorophenyl)methyl]morpholin-2-yl]methanamine (PubChem CID 120844436) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is [4-[(4-ethoxy-3-fluorophenyl)methyl]morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-[(4-ethoxy-3-fluorophenyl)methyl]morpholin-2-yl]methanamine
PubChem CID120844436
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name[4-[(4-ethoxy-3-fluorophenyl)methyl]morpholin-2-yl]methanamine
SMILESCCOc1ccc(CN2CCOC(CN)C2)cc1F
InChIInChI=1S/C14H21FN2O2/c1-2-18-14-4-3-11(7-13(14)15)9-17-5-6-19-12(8-16)10-17/h3-4,7,12H,2,5-6,8-10,16H2,1H3
InChIKeyNTYVIAFTPULJHK-UHFFFAOYSA-N
XLogP1.38
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(4-ethoxy-3-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 120837699
[(2S)-4-[(5-chloro-2-ethoxyphenyl)methyl]morpholin-2-yl]methanamine;hydrochloride
CID 171625171
(3S)-1-[(4-ethoxy-3-fluorophenyl)methyl]pyrrolidin-3-amine
CID 120836290
[4-[(3-bromo-4-methoxyphenyl)methyl]morpholin-2-yl]methanamine
CID 114393440
2-[4-[(4-ethylmorpholin-2-yl)methoxy]-3-fluorophenyl]ethanamine
CID 107692794
1-[1-[(4-ethoxy-3-fluorophenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 120843364
5-[[2-(aminomethyl)morpholin-4-yl]methyl]-2-methoxybenzonitrile
CID 114397814
[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 10308229
[(2R)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 11346392
1-[(4-ethoxy-3-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 120834084
4-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylmorpholine
CID 51074764
(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(3-fluoro-4-methoxyphenyl)methyl]morpholine
CID 95274185

Frequently Asked Questions

What is the IUPAC name of [4-[(4-ethoxy-3-fluorophenyl)methyl]morpholin-2-yl]methanamine?
The IUPAC name of [4-[(4-ethoxy-3-fluorophenyl)methyl]morpholin-2-yl]methanamine (CID 120844436) is [4-[(4-ethoxy-3-fluorophenyl)methyl]morpholin-2-yl]methanamine.
What is the SMILES notation for [4-[(4-ethoxy-3-fluorophenyl)methyl]morpholin-2-yl]methanamine?
The canonical SMILES for [4-[(4-ethoxy-3-fluorophenyl)methyl]morpholin-2-yl]methanamine is CCOc1ccc(CN2CCOC(CN)C2)cc1F.
What is the InChIKey of [4-[(4-ethoxy-3-fluorophenyl)methyl]morpholin-2-yl]methanamine?
The InChIKey is NTYVIAFTPULJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-2-18-14-4-3-11(7-13(14)15)9-17-5-6-19-12(8-16)10-17/h3-4,7,12H,2,5-6,8-10,16H2,1H3.
What are the key properties of [4-[(4-ethoxy-3-fluorophenyl)methyl]morpholin-2-yl]methanamine?
[4-[(4-ethoxy-3-fluorophenyl)methyl]morpholin-2-yl]methanamine has a molecular weight of 268.33 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-ethoxy-3-fluorophenyl)methyl]morpholin-2-yl]methanamine is sourced from PubChem (CID 120844436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).