2-(2,4-difluorophenyl)-2-morpholin-4-ylethanamine;hydrochloride

C12H17ClF2N2O — CID 46736564

IUPAC2-(2,4-difluorophenyl)-2-morpholin-4-ylethanamine;hydrochloride
SMILESCl.NCC(c1ccc(F)cc1F)N1CCOCC1
InChIInChI=1S/C12H16F2N2O.ClH/c13-9-1-2-10(11(14)7-9)12(8-15)16-3-5-17-6-4-16;/h1-2,7,12H,3-6,8,15H2;1H
InChIKeyUWNBVJPWZVWYLA-UHFFFAOYSA-N
MW278.73 g/mol
LogP1.72
Rot. Bonds3

About 2-(2,4-difluorophenyl)-2-morpholin-4-ylethanamine;hydrochloride

2-(2,4-difluorophenyl)-2-morpholin-4-ylethanamine;hydrochloride (PubChem CID 46736564) has the molecular formula C12H17ClF2N2O and a molecular weight of 278.73 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-2-morpholin-4-ylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-2-morpholin-4-ylethanamine;hydrochloride
PubChem CID46736564
Molecular FormulaC12H17ClF2N2O
Molecular Weight278.73 g/mol
Exact Mass278.10
IUPAC Name2-(2,4-difluorophenyl)-2-morpholin-4-ylethanamine;hydrochloride
SMILESCl.NCC(c1ccc(F)cc1F)N1CCOCC1
InChIInChI=1S/C12H16F2N2O.ClH/c13-9-1-2-10(11(14)7-9)12(8-15)16-3-5-17-6-4-16;/h1-2,7,12H,3-6,8,15H2;1H
InChIKeyUWNBVJPWZVWYLA-UHFFFAOYSA-N
XLogP1.72
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.73
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-5-fluorophenyl)-2-morpholin-4-ylethanamine
CID 114077681
2-(2,4-difluorophenyl)-2-(4,4-dimethylpiperidin-1-yl)ethanamine
CID 55157458
2-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 16791134
3-(2,5-difluorophenyl)-3-morpholin-4-ylpropan-1-amine
CID 69312368
(2R)-2-(2,6-difluorophenyl)-2-morpholin-4-ylethanamine
CID 30115194
2-(2,4-difluorophenyl)-2-(7,7-dimethyl-1,4-thiazepan-4-yl)ethanamine
CID 107454108
2-(4-chloro-2-fluorophenyl)-2-pyrrolidin-1-ylethanamine
CID 114842786
2-(2,3-difluorophenyl)-2-(1,4-oxazepan-4-yl)ethanamine
CID 55234530
(2R)-2-(2,5-difluorophenyl)-2-pyrrolidin-1-ylethanamine
CID 93285194
2-(azocan-1-yl)-2-(4-chloro-2-fluorophenyl)ethanamine
CID 114842840
2-(2,4-difluorophenyl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine
CID 103531886
(2S)-2-(2,4-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
CID 124552543

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-2-morpholin-4-ylethanamine;hydrochloride?
The IUPAC name of 2-(2,4-difluorophenyl)-2-morpholin-4-ylethanamine;hydrochloride (CID 46736564) is 2-(2,4-difluorophenyl)-2-morpholin-4-ylethanamine;hydrochloride.
What is the SMILES notation for 2-(2,4-difluorophenyl)-2-morpholin-4-ylethanamine;hydrochloride?
The canonical SMILES for 2-(2,4-difluorophenyl)-2-morpholin-4-ylethanamine;hydrochloride is Cl.NCC(c1ccc(F)cc1F)N1CCOCC1.
What is the InChIKey of 2-(2,4-difluorophenyl)-2-morpholin-4-ylethanamine;hydrochloride?
The InChIKey is UWNBVJPWZVWYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O.ClH/c13-9-1-2-10(11(14)7-9)12(8-15)16-3-5-17-6-4-16;/h1-2,7,12H,3-6,8,15H2;1H.
What are the key properties of 2-(2,4-difluorophenyl)-2-morpholin-4-ylethanamine;hydrochloride?
2-(2,4-difluorophenyl)-2-morpholin-4-ylethanamine;hydrochloride has a molecular weight of 278.73 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-2-morpholin-4-ylethanamine;hydrochloride is sourced from PubChem (CID 46736564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).