1-(3,4-difluorophenyl)-2-morpholin-2-ylethanamine

C12H16F2N2O — CID 116941595

IUPAC1-(3,4-difluorophenyl)-2-morpholin-2-ylethanamine
SMILESNC(CC1CNCCO1)c1ccc(F)c(F)c1
InChIInChI=1S/C12H16F2N2O/c13-10-2-1-8(5-11(10)14)12(15)6-9-7-16-3-4-17-9/h1-2,5,9,12,16H,3-4,6-7,15H2
InChIKeyIBACQLOGLXZHRJ-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.34
Rot. Bonds3

About 1-(3,4-difluorophenyl)-2-morpholin-2-ylethanamine

1-(3,4-difluorophenyl)-2-morpholin-2-ylethanamine (PubChem CID 116941595) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-morpholin-2-ylethanamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-morpholin-2-ylethanamine
PubChem CID116941595
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name1-(3,4-difluorophenyl)-2-morpholin-2-ylethanamine
SMILESNC(CC1CNCCO1)c1ccc(F)c(F)c1
InChIInChI=1S/C12H16F2N2O/c13-10-2-1-8(5-11(10)14)12(15)6-9-7-16-3-4-17-9/h1-2,5,9,12,16H,3-4,6-7,15H2
InChIKeyIBACQLOGLXZHRJ-UHFFFAOYSA-N
XLogP1.34
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-2-morpholin-2-ylethanamine
CID 116941576
1-(3,4-difluorophenyl)-N-methyl-2-morpholin-2-ylethanamine
CID 116956852
1-(3,4-difluorophenyl)-2-piperidin-4-ylethanamine
CID 116936470
2-[(2,5-difluorophenyl)sulfanylmethyl]morpholine
CID 64535080
2-[(3,4-difluorophenyl)sulfinylmethyl]morpholine
CID 112741743
1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(oxolan-2-yl)ethanamine
CID 107288743
1-(5-bromo-2-fluorophenyl)-N-methyl-2-morpholin-2-ylethanamine
CID 116956863
1-(3,4-dimethylphenyl)-N-methyl-2-morpholin-2-ylethanamine
CID 116956830
2-[2-(5-chloro-2-fluorophenyl)ethyl]morpholine
CID 116868519
azetidin-3-yl-(3,4-difluorophenyl)methanamine
CID 116935312
N-methyl-1-(4-methylphenyl)-2-morpholin-2-ylethanamine
CID 116956827
2-amino-2-(3,4-difluorophenyl)ethanol
CID 22048878

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-morpholin-2-ylethanamine?
The IUPAC name of 1-(3,4-difluorophenyl)-2-morpholin-2-ylethanamine (CID 116941595) is 1-(3,4-difluorophenyl)-2-morpholin-2-ylethanamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-morpholin-2-ylethanamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-morpholin-2-ylethanamine is NC(CC1CNCCO1)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-morpholin-2-ylethanamine?
The InChIKey is IBACQLOGLXZHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c13-10-2-1-8(5-11(10)14)12(15)6-9-7-16-3-4-17-9/h1-2,5,9,12,16H,3-4,6-7,15H2.
What are the key properties of 1-(3,4-difluorophenyl)-2-morpholin-2-ylethanamine?
1-(3,4-difluorophenyl)-2-morpholin-2-ylethanamine has a molecular weight of 242.27 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-morpholin-2-ylethanamine is sourced from PubChem (CID 116941595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).