(1S)-1-fluoro-N-methyl-1-morpholin-4-ylethanamine

C7H15FN2O — CID 163822696

IUPAC(1S)-1-fluoro-N-methyl-1-morpholin-4-ylethanamine
SMILESCN[C@](C)(F)N1CCOCC1
InChIInChI=1S/C7H15FN2O/c1-7(8,9-2)10-3-5-11-6-4-10/h9H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyNWTOHSGRSXYMJC-ZETCQYMHSA-N
MW162.21 g/mol
LogP0.18
Rot. Bonds2

About (1S)-1-fluoro-N-methyl-1-morpholin-4-ylethanamine

(1S)-1-fluoro-N-methyl-1-morpholin-4-ylethanamine (PubChem CID 163822696) has the molecular formula C7H15FN2O and a molecular weight of 162.21 g/mol. Its IUPAC name is (1S)-1-fluoro-N-methyl-1-morpholin-4-ylethanamine.

Molecular Properties

Compound Name(1S)-1-fluoro-N-methyl-1-morpholin-4-ylethanamine
PubChem CID163822696
Molecular FormulaC7H15FN2O
Molecular Weight162.21 g/mol
Exact Mass162.12
IUPAC Name(1S)-1-fluoro-N-methyl-1-morpholin-4-ylethanamine
SMILESCN[C@](C)(F)N1CCOCC1
InChIInChI=1S/C7H15FN2O/c1-7(8,9-2)10-3-5-11-6-4-10/h9H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyNWTOHSGRSXYMJC-ZETCQYMHSA-N
XLogP0.18
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-ethylmorpholine-4-carboxamide
CID 824155
N-ethylmorpholine-4-carbothioamide
CID 696868
1-(Morpholin-4-yl)methanamine
CID 17939679
2-(4-Morpholino)-1-ethylamine
CID 21966830
Amino-methylmorpholine
CID 53796705
1-fluoro-N,N-dimethyl-1-morpholin-4-ylmethanamine
CID 25158604
N-methyl-1-[3-(trifluoromethyl)morpholin-4-yl]methanamine
CID 156082274
N-methyl-2-[(3R)-3-(trifluoromethyl)morpholin-4-yl]propan-2-amine
CID 163562855
1-fluoro-N,N-dimethyl-1-morpholin-4-ium-4-ylmethanamine
CID 163714279
(1R)-2-fluoro-N-methyl-1-morpholin-4-ylpropan-1-amine
CID 173819069
N-(2-fluoroethyl)morpholine-4-carboxamide
CID 126973649
N'-(1-morpholin-4-ylethyl)ethane-1,2-diamine
CID 19420461

Frequently Asked Questions

What is the IUPAC name of (1S)-1-fluoro-N-methyl-1-morpholin-4-ylethanamine?
The IUPAC name of (1S)-1-fluoro-N-methyl-1-morpholin-4-ylethanamine (CID 163822696) is (1S)-1-fluoro-N-methyl-1-morpholin-4-ylethanamine.
What is the SMILES notation for (1S)-1-fluoro-N-methyl-1-morpholin-4-ylethanamine?
The canonical SMILES for (1S)-1-fluoro-N-methyl-1-morpholin-4-ylethanamine is CN[C@](C)(F)N1CCOCC1.
What is the InChIKey of (1S)-1-fluoro-N-methyl-1-morpholin-4-ylethanamine?
The InChIKey is NWTOHSGRSXYMJC-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H15FN2O/c1-7(8,9-2)10-3-5-11-6-4-10/h9H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of (1S)-1-fluoro-N-methyl-1-morpholin-4-ylethanamine?
(1S)-1-fluoro-N-methyl-1-morpholin-4-ylethanamine has a molecular weight of 162.21 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-fluoro-N-methyl-1-morpholin-4-ylethanamine is sourced from PubChem (CID 163822696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).