2-[4-(3-chloro-4-fluorophenyl)morpholin-2-yl]ethanamine

C12H16ClFN2O — CID 82300838

IUPAC2-[4-(3-chloro-4-fluorophenyl)morpholin-2-yl]ethanamine
SMILESNCCC1CN(c2ccc(F)c(Cl)c2)CCO1
InChIInChI=1S/C12H16ClFN2O/c13-11-7-9(1-2-12(11)14)16-5-6-17-10(8-16)3-4-15/h1-2,7,10H,3-6,8,15H2
InChIKeyIWXNBBOQVGFADG-UHFFFAOYSA-N
MW258.72 g/mol
LogP2.03
Rot. Bonds3

About 2-[4-(3-chloro-4-fluorophenyl)morpholin-2-yl]ethanamine

2-[4-(3-chloro-4-fluorophenyl)morpholin-2-yl]ethanamine (PubChem CID 82300838) has the molecular formula C12H16ClFN2O and a molecular weight of 258.72 g/mol. Its IUPAC name is 2-[4-(3-chloro-4-fluorophenyl)morpholin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(3-chloro-4-fluorophenyl)morpholin-2-yl]ethanamine
PubChem CID82300838
Molecular FormulaC12H16ClFN2O
Molecular Weight258.72 g/mol
Exact Mass258.09
IUPAC Name2-[4-(3-chloro-4-fluorophenyl)morpholin-2-yl]ethanamine
SMILESNCCC1CN(c2ccc(F)c(Cl)c2)CCO1
InChIInChI=1S/C12H16ClFN2O/c13-11-7-9(1-2-12(11)14)16-5-6-17-10(8-16)3-4-15/h1-2,7,10H,3-6,8,15H2
InChIKeyIWXNBBOQVGFADG-UHFFFAOYSA-N
XLogP2.03
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.72
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-bromo-3-methylphenyl)morpholin-2-yl]ethanamine
CID 82308317
2-[4-(5-chloro-2-methylphenyl)morpholin-2-yl]ethanamine
CID 82299003
[(2S)-4-(3-amino-4-fluorophenyl)morpholin-2-yl]methanol
CID 162439692
[(2R)-4-(3-amino-4-fluorophenyl)morpholin-2-yl]methanol
CID 166940465
2-[3-(3-fluoro-4-methylphenyl)-1,3-oxazolidin-5-yl]ethanamine
CID 141217231
[2-(2-aminoethyl)morpholin-4-yl]-[3-(3-chloro-4-fluorophenyl)phenyl]methanone;hydrochloride
CID 154904026
[4-[4-(1-aminoethyl)-3-chlorophenyl]morpholin-2-yl]methanol
CID 81204221
[4-(5-chloro-3-fluoro-2-pyridinyl)morpholin-2-yl]methanamine
CID 79718053
2-[4-[(2,6-dichlorophenyl)methyl]morpholin-2-yl]ethanamine
CID 74237243
1-(3-chloro-4-fluorophenyl)-3-methoxypyrrolidine
CID 90124019
[2-fluoro-4-(2-methylmorpholin-4-yl)phenyl]methanamine
CID 115366639
2-(bromomethyl)-4-[(3-chloro-4-fluorophenyl)methyl]morpholine
CID 103041391

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chloro-4-fluorophenyl)morpholin-2-yl]ethanamine?
The IUPAC name of 2-[4-(3-chloro-4-fluorophenyl)morpholin-2-yl]ethanamine (CID 82300838) is 2-[4-(3-chloro-4-fluorophenyl)morpholin-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(3-chloro-4-fluorophenyl)morpholin-2-yl]ethanamine?
The canonical SMILES for 2-[4-(3-chloro-4-fluorophenyl)morpholin-2-yl]ethanamine is NCCC1CN(c2ccc(F)c(Cl)c2)CCO1.
What is the InChIKey of 2-[4-(3-chloro-4-fluorophenyl)morpholin-2-yl]ethanamine?
The InChIKey is IWXNBBOQVGFADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O/c13-11-7-9(1-2-12(11)14)16-5-6-17-10(8-16)3-4-15/h1-2,7,10H,3-6,8,15H2.
What are the key properties of 2-[4-(3-chloro-4-fluorophenyl)morpholin-2-yl]ethanamine?
2-[4-(3-chloro-4-fluorophenyl)morpholin-2-yl]ethanamine has a molecular weight of 258.72 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chloro-4-fluorophenyl)morpholin-2-yl]ethanamine is sourced from PubChem (CID 82300838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).