1-(3-fluoro-4-methoxyphenyl)-2-morpholin-2-ylethanamine

C13H19FN2O2 — CID 116941576

IUPAC1-(3-fluoro-4-methoxyphenyl)-2-morpholin-2-ylethanamine
SMILESCOc1ccc(C(N)CC2CNCCO2)cc1F
InChIInChI=1S/C13H19FN2O2/c1-17-13-3-2-9(6-11(13)14)12(15)7-10-8-16-4-5-18-10/h2-3,6,10,12,16H,4-5,7-8,15H2,1H3
InChIKeyRHGXHQDTHDMZTK-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.21
Rot. Bonds4

About 1-(3-fluoro-4-methoxyphenyl)-2-morpholin-2-ylethanamine

1-(3-fluoro-4-methoxyphenyl)-2-morpholin-2-ylethanamine (PubChem CID 116941576) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-2-morpholin-2-ylethanamine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-2-morpholin-2-ylethanamine
PubChem CID116941576
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-2-morpholin-2-ylethanamine
SMILESCOc1ccc(C(N)CC2CNCCO2)cc1F
InChIInChI=1S/C13H19FN2O2/c1-17-13-3-2-9(6-11(13)14)12(15)7-10-8-16-4-5-18-10/h2-3,6,10,12,16H,4-5,7-8,15H2,1H3
InChIKeyRHGXHQDTHDMZTK-UHFFFAOYSA-N
XLogP1.21
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-difluorophenyl)-2-morpholin-2-ylethanamine
CID 116941595
(1S)-2-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 94248825
2-[(2,5-difluoro-4-methoxyphenyl)methyl]morpholine
CID 67073211
2-(3-fluoro-4-methoxyphenyl)-N-(morpholin-2-ylmethyl)ethanamine
CID 115237709
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-morpholin-2-ylethanamine
CID 115239190
1-(3,4-difluorophenyl)-N-methyl-2-morpholin-2-ylethanamine
CID 116956852
2-[(3-fluoro-4-methoxyphenyl)methyl]-1,4-oxazepane
CID 90877171
(1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 171220989
4-methoxy-3-(morpholin-2-ylmethyl)aniline;hydrochloride
CID 70130204
(4-methoxy-3-methylphenyl)-morpholin-2-ylmethanamine
CID 116940973
(1S)-3-fluoro-1-(3-fluoro-4-methoxyphenyl)propan-1-amine;hydrochloride
CID 171221010
(3-fluoro-4-methoxyphenyl)-(1-methylpiperazin-2-yl)methanamine
CID 116941250

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-morpholin-2-ylethanamine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-morpholin-2-ylethanamine (CID 116941576) is 1-(3-fluoro-4-methoxyphenyl)-2-morpholin-2-ylethanamine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-2-morpholin-2-ylethanamine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-2-morpholin-2-ylethanamine is COc1ccc(C(N)CC2CNCCO2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-2-morpholin-2-ylethanamine?
The InChIKey is RHGXHQDTHDMZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-17-13-3-2-9(6-11(13)14)12(15)7-10-8-16-4-5-18-10/h2-3,6,10,12,16H,4-5,7-8,15H2,1H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-2-morpholin-2-ylethanamine?
1-(3-fluoro-4-methoxyphenyl)-2-morpholin-2-ylethanamine has a molecular weight of 254.30 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-2-morpholin-2-ylethanamine is sourced from PubChem (CID 116941576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).