1-[4-[(2-fluoro-3-methoxyphenyl)methyl]morpholin-3-yl]-N-methylmethanamine

C14H21FN2O2 — CID 104792418

IUPAC1-[4-[(2-fluoro-3-methoxyphenyl)methyl]morpholin-3-yl]-N-methylmethanamine
SMILESCNCC1COCCN1Cc1cccc(OC)c1F
InChIInChI=1S/C14H21FN2O2/c1-16-8-12-10-19-7-6-17(12)9-11-4-3-5-13(18-2)14(11)15/h3-5,12,16H,6-10H2,1-2H3
InChIKeyWAVNYDMGTRBIHD-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.25
Rot. Bonds5

About 1-[4-[(2-fluoro-3-methoxyphenyl)methyl]morpholin-3-yl]-N-methylmethanamine

1-[4-[(2-fluoro-3-methoxyphenyl)methyl]morpholin-3-yl]-N-methylmethanamine (PubChem CID 104792418) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 1-[4-[(2-fluoro-3-methoxyphenyl)methyl]morpholin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[(2-fluoro-3-methoxyphenyl)methyl]morpholin-3-yl]-N-methylmethanamine
PubChem CID104792418
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name1-[4-[(2-fluoro-3-methoxyphenyl)methyl]morpholin-3-yl]-N-methylmethanamine
SMILESCNCC1COCCN1Cc1cccc(OC)c1F
InChIInChI=1S/C14H21FN2O2/c1-16-8-12-10-19-7-6-17(12)9-11-4-3-5-13(18-2)14(11)15/h3-5,12,16H,6-10H2,1-2H3
InChIKeyWAVNYDMGTRBIHD-UHFFFAOYSA-N
XLogP1.25
TPSA33.73 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 ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[(2-methoxyphenyl)methyl]morpholin-3-yl]methyl]propan-2-amine
CID 83100679
N-[[4-[(2,3-difluorophenyl)methyl]morpholin-3-yl]methyl]ethanamine
CID 83099905
(3R)-4-[(2-fluoro-3-methoxyphenyl)methyl]-3-(1H-pyrazol-5-yl)morpholine
CID 124951153
N-[[4-[(3-chloro-2-fluorophenyl)methyl]morpholin-3-yl]methyl]ethanamine
CID 102856201
N-methyl-1-[4-(quinolin-8-ylmethyl)morpholin-3-yl]methanamine
CID 83099652
N-[[4-[(2,3-difluorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine
CID 83099915
N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-2-yl]methyl]ethanamine
CID 104792400
[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]methanamine
CID 113453609
[(2R)-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 104794526
3-[[3-(methylaminomethyl)morpholin-4-yl]methyl]phenol
CID 83099978
1-[4-[2-(4-methoxyphenoxy)ethyl]morpholin-3-yl]-N-methylmethanamine
CID 83100712
1-(1,4-dioxan-2-yl)-N-[(2-fluoro-3-methoxyphenyl)methyl]methanamine
CID 113453529

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-fluoro-3-methoxyphenyl)methyl]morpholin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-[(2-fluoro-3-methoxyphenyl)methyl]morpholin-3-yl]-N-methylmethanamine (CID 104792418) is 1-[4-[(2-fluoro-3-methoxyphenyl)methyl]morpholin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[(2-fluoro-3-methoxyphenyl)methyl]morpholin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[(2-fluoro-3-methoxyphenyl)methyl]morpholin-3-yl]-N-methylmethanamine is CNCC1COCCN1Cc1cccc(OC)c1F.
What is the InChIKey of 1-[4-[(2-fluoro-3-methoxyphenyl)methyl]morpholin-3-yl]-N-methylmethanamine?
The InChIKey is WAVNYDMGTRBIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-16-8-12-10-19-7-6-17(12)9-11-4-3-5-13(18-2)14(11)15/h3-5,12,16H,6-10H2,1-2H3.
What are the key properties of 1-[4-[(2-fluoro-3-methoxyphenyl)methyl]morpholin-3-yl]-N-methylmethanamine?
1-[4-[(2-fluoro-3-methoxyphenyl)methyl]morpholin-3-yl]-N-methylmethanamine has a molecular weight of 268.33 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-fluoro-3-methoxyphenyl)methyl]morpholin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 104792418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).