1-(2,5-difluorophenyl)-N,N-dimethyl-1-morpholin-2-ylmethanamine

C13H18F2N2O — CID 116910838

IUPAC1-(2,5-difluorophenyl)-N,N-dimethyl-1-morpholin-2-ylmethanamine
SMILESCN(C)C(c1cc(F)ccc1F)C1CNCCO1
InChIInChI=1S/C13H18F2N2O/c1-17(2)13(12-8-16-5-6-18-12)10-7-9(14)3-4-11(10)15/h3-4,7,12-13,16H,5-6,8H2,1-2H3
InChIKeyFZVIDVSFFLVNOP-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.56
Rot. Bonds3

About 1-(2,5-difluorophenyl)-N,N-dimethyl-1-morpholin-2-ylmethanamine

1-(2,5-difluorophenyl)-N,N-dimethyl-1-morpholin-2-ylmethanamine (PubChem CID 116910838) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N,N-dimethyl-1-morpholin-2-ylmethanamine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N,N-dimethyl-1-morpholin-2-ylmethanamine
PubChem CID116910838
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name1-(2,5-difluorophenyl)-N,N-dimethyl-1-morpholin-2-ylmethanamine
SMILESCN(C)C(c1cc(F)ccc1F)C1CNCCO1
InChIInChI=1S/C13H18F2N2O/c1-17(2)13(12-8-16-5-6-18-12)10-7-9(14)3-4-11(10)15/h3-4,7,12-13,16H,5-6,8H2,1-2H3
InChIKeyFZVIDVSFFLVNOP-UHFFFAOYSA-N
XLogP1.56
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-indol-3-yl)-N,N-dimethyl-1-morpholin-2-ylmethanamine
CID 116910841
N,N-dimethyl-1-morpholin-2-yl-1-(1H-pyrrol-2-yl)methanamine
CID 116910842
(2S)-2-[(S)-(2,5-difluorophenoxy)-phenylmethyl]morpholine
CID 59166996
(2S)-2-[cyclopropyl-(2,4-difluorophenoxy)methyl]morpholine
CID 59166841
(2R)-2-[(R)-(2-fluorophenyl)-(2-methoxyphenyl)sulfanylmethyl]morpholine
CID 10248552
2-[(S)-(2-chloro-4-fluorophenoxy)-(4-chlorophenyl)methyl]morpholine
CID 91482587
(2R)-2-(2,4-difluorophenyl)morpholine
CID 93302359
2-[(2,5-difluorophenyl)sulfanylmethyl]morpholine
CID 64535080
1-(2,5-difluorophenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine
CID 116906884
2-[(2-ethoxyphenoxy)-(3-fluorophenyl)methyl]morpholine
CID 11530042
(2S)-2-[(2-ethoxy-5-fluorophenoxy)-phenylmethyl]morpholine
CID 59166814
N,N-dimethyl-1-morpholin-2-yl-1-(oxan-4-yl)methanamine
CID 116910867

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N,N-dimethyl-1-morpholin-2-ylmethanamine?
The IUPAC name of 1-(2,5-difluorophenyl)-N,N-dimethyl-1-morpholin-2-ylmethanamine (CID 116910838) is 1-(2,5-difluorophenyl)-N,N-dimethyl-1-morpholin-2-ylmethanamine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N,N-dimethyl-1-morpholin-2-ylmethanamine?
The canonical SMILES for 1-(2,5-difluorophenyl)-N,N-dimethyl-1-morpholin-2-ylmethanamine is CN(C)C(c1cc(F)ccc1F)C1CNCCO1.
What is the InChIKey of 1-(2,5-difluorophenyl)-N,N-dimethyl-1-morpholin-2-ylmethanamine?
The InChIKey is FZVIDVSFFLVNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-17(2)13(12-8-16-5-6-18-12)10-7-9(14)3-4-11(10)15/h3-4,7,12-13,16H,5-6,8H2,1-2H3.
What are the key properties of 1-(2,5-difluorophenyl)-N,N-dimethyl-1-morpholin-2-ylmethanamine?
1-(2,5-difluorophenyl)-N,N-dimethyl-1-morpholin-2-ylmethanamine has a molecular weight of 256.30 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-N,N-dimethyl-1-morpholin-2-ylmethanamine is sourced from PubChem (CID 116910838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).