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

C13H18F2N2O — CID 116956852

IUPAC1-(3,4-difluorophenyl)-N-methyl-2-morpholin-2-ylethanamine
SMILESCNC(CC1CNCCO1)c1ccc(F)c(F)c1
InChIInChI=1S/C13H18F2N2O/c1-16-13(7-10-8-17-4-5-18-10)9-2-3-11(14)12(15)6-9/h2-3,6,10,13,16-17H,4-5,7-8H2,1H3
InChIKeyRPAPDVZBGOZCOB-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.60
Rot. Bonds4

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

1-(3,4-difluorophenyl)-N-methyl-2-morpholin-2-ylethanamine (PubChem CID 116956852) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-methyl-2-morpholin-2-ylethanamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-methyl-2-morpholin-2-ylethanamine
PubChem CID116956852
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name1-(3,4-difluorophenyl)-N-methyl-2-morpholin-2-ylethanamine
SMILESCNC(CC1CNCCO1)c1ccc(F)c(F)c1
InChIInChI=1S/C13H18F2N2O/c1-16-13(7-10-8-17-4-5-18-10)9-2-3-11(14)12(15)6-9/h2-3,6,10,13,16-17H,4-5,7-8H2,1H3
InChIKeyRPAPDVZBGOZCOB-UHFFFAOYSA-N
XLogP1.60
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylphenyl)-N-methyl-2-morpholin-2-ylethanamine
CID 116956830
N-methyl-1-(4-methylphenyl)-2-morpholin-2-ylethanamine
CID 116956827
1-(3,4-difluorophenyl)-2-morpholin-2-ylethanamine
CID 116941595
1-(5-bromo-2-fluorophenyl)-N-methyl-2-morpholin-2-ylethanamine
CID 116956863
1-(3-fluoro-4-methoxyphenyl)-2-morpholin-2-ylethanamine
CID 116941576
1-(3-fluoro-4-methoxyphenyl)-N-methyl-2-(oxolan-2-yl)ethanamine
CID 62797333
1-(3,4-difluorophenyl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
CID 103162822
2-[(2,5-difluorophenyl)sulfanylmethyl]morpholine
CID 64535080
2-chloro-1-(3,4-difluorophenyl)-N-methylethanamine
CID 116952603
2-[(3,4-difluorophenyl)sulfinylmethyl]morpholine
CID 112741743
1-(3,4-difluorophenyl)-N'-ethyl-N-methylethane-1,2-diamine
CID 116950316
4-fluoro-3-methyl-N-(2-morpholin-2-ylethyl)aniline
CID 115239076

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-methyl-2-morpholin-2-ylethanamine?
The IUPAC name of 1-(3,4-difluorophenyl)-N-methyl-2-morpholin-2-ylethanamine (CID 116956852) is 1-(3,4-difluorophenyl)-N-methyl-2-morpholin-2-ylethanamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-methyl-2-morpholin-2-ylethanamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-methyl-2-morpholin-2-ylethanamine is CNC(CC1CNCCO1)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-methyl-2-morpholin-2-ylethanamine?
The InChIKey is RPAPDVZBGOZCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-16-13(7-10-8-17-4-5-18-10)9-2-3-11(14)12(15)6-9/h2-3,6,10,13,16-17H,4-5,7-8H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-N-methyl-2-morpholin-2-ylethanamine?
1-(3,4-difluorophenyl)-N-methyl-2-morpholin-2-ylethanamine has a molecular weight of 256.30 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-methyl-2-morpholin-2-ylethanamine is sourced from PubChem (CID 116956852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).