[4-[1-(3,4-difluorophenyl)ethyl]morpholin-2-yl]methanamine;hydrochloride

C13H19ClF2N2O — CID 85086626

IUPAC[4-[1-(3,4-difluorophenyl)ethyl]morpholin-2-yl]methanamine;hydrochloride
SMILESCC(c1ccc(F)c(F)c1)N1CCOC(CN)C1.Cl
InChIInChI=1S/C13H18F2N2O.ClH/c1-9(10-2-3-12(14)13(15)6-10)17-4-5-18-11(7-16)8-17;/h2-3,6,9,11H,4-5,7-8,16H2,1H3;1H
InChIKeyNKNSDHKGXRUFLA-UHFFFAOYSA-N
MW292.76 g/mol
LogP2.11
Rot. Bonds3

About [4-[1-(3,4-difluorophenyl)ethyl]morpholin-2-yl]methanamine;hydrochloride

[4-[1-(3,4-difluorophenyl)ethyl]morpholin-2-yl]methanamine;hydrochloride (PubChem CID 85086626) has the molecular formula C13H19ClF2N2O and a molecular weight of 292.76 g/mol. Its IUPAC name is [4-[1-(3,4-difluorophenyl)ethyl]morpholin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-[1-(3,4-difluorophenyl)ethyl]morpholin-2-yl]methanamine;hydrochloride
PubChem CID85086626
Molecular FormulaC13H19ClF2N2O
Molecular Weight292.76 g/mol
Exact Mass292.12
IUPAC Name[4-[1-(3,4-difluorophenyl)ethyl]morpholin-2-yl]methanamine;hydrochloride
SMILESCC(c1ccc(F)c(F)c1)N1CCOC(CN)C1.Cl
InChIInChI=1S/C13H18F2N2O.ClH/c1-9(10-2-3-12(14)13(15)6-10)17-4-5-18-11(7-16)8-17;/h2-3,6,9,11H,4-5,7-8,16H2,1H3;1H
InChIKeyNKNSDHKGXRUFLA-UHFFFAOYSA-N
XLogP2.11
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.76
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[1-(3,4-dimethylphenyl)ethyl]morpholin-2-yl]methanamine
CID 114397830
[4-[1-(2,5-difluorophenyl)ethyl]morpholin-2-yl]methanamine
CID 114394882
2-(3,4-difluorophenyl)-2-(2-ethylmorpholin-4-yl)ethanamine
CID 43562470
4-[1-(3,4-difluorophenyl)ethyl]morpholine-2-carboxylic acid
CID 65067562
(4-nitrophenyl) N-[[(2S)-4-[1-(3,4-difluorophenyl)ethyl]morpholin-2-yl]methyl]carbamate
CID 10454850
2-[[4-[1-(3-fluoro-4-methylsulfanylphenyl)ethyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043621
[(2R)-4-[(1R)-1-(4-propan-2-ylphenyl)ethyl]morpholin-2-yl]methanol
CID 99108798
[4-[1-(2,3-dichlorophenyl)ethyl]morpholin-2-yl]methanamine
CID 114079708
1-[1-[1-(3,4-difluorophenyl)ethyl]pyrrolidin-3-yl]ethanol
CID 110019990
[(3,4-difluorophenyl)-(4-propan-2-ylmorpholin-2-yl)methyl]hydrazine
CID 105248107
N-(2-adamantyl)-4-[1-(3,4-difluorophenyl)ethyl]morpholine-2-carboxamide
CID 66555578
[1-[1-(3-chloro-4-fluorophenyl)ethyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915680

Frequently Asked Questions

What is the IUPAC name of [4-[1-(3,4-difluorophenyl)ethyl]morpholin-2-yl]methanamine;hydrochloride?
The IUPAC name of [4-[1-(3,4-difluorophenyl)ethyl]morpholin-2-yl]methanamine;hydrochloride (CID 85086626) is [4-[1-(3,4-difluorophenyl)ethyl]morpholin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [4-[1-(3,4-difluorophenyl)ethyl]morpholin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [4-[1-(3,4-difluorophenyl)ethyl]morpholin-2-yl]methanamine;hydrochloride is CC(c1ccc(F)c(F)c1)N1CCOC(CN)C1.Cl.
What is the InChIKey of [4-[1-(3,4-difluorophenyl)ethyl]morpholin-2-yl]methanamine;hydrochloride?
The InChIKey is NKNSDHKGXRUFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O.ClH/c1-9(10-2-3-12(14)13(15)6-10)17-4-5-18-11(7-16)8-17;/h2-3,6,9,11H,4-5,7-8,16H2,1H3;1H.
What are the key properties of [4-[1-(3,4-difluorophenyl)ethyl]morpholin-2-yl]methanamine;hydrochloride?
[4-[1-(3,4-difluorophenyl)ethyl]morpholin-2-yl]methanamine;hydrochloride has a molecular weight of 292.76 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(3,4-difluorophenyl)ethyl]morpholin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 85086626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).