2-[4-[2-(fluoroamino)ethyl]phenyl]-N-methylethanamine

C11H17FN2 — CID 155050815

IUPAC2-[4-[2-(fluoroamino)ethyl]phenyl]-N-methylethanamine
SMILESCNCCc1ccc(CCNF)cc1
InChIInChI=1S/C11H17FN2/c1-13-8-6-10-2-4-11(5-3-10)7-9-14-12/h2-5,13-14H,6-9H2,1H3
InChIKeyQPNNYMNHUIQJAI-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.47
Rot. Bonds6

About 2-[4-[2-(fluoroamino)ethyl]phenyl]-N-methylethanamine

2-[4-[2-(fluoroamino)ethyl]phenyl]-N-methylethanamine (PubChem CID 155050815) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is 2-[4-[2-(fluoroamino)ethyl]phenyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-[2-(fluoroamino)ethyl]phenyl]-N-methylethanamine
PubChem CID155050815
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name2-[4-[2-(fluoroamino)ethyl]phenyl]-N-methylethanamine
SMILESCNCCc1ccc(CCNF)cc1
InChIInChI=1S/C11H17FN2/c1-13-8-6-10-2-4-11(5-3-10)7-9-14-12/h2-5,13-14H,6-9H2,1H3
InChIKeyQPNNYMNHUIQJAI-UHFFFAOYSA-N
XLogP1.47
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-fluoropropan-2-yl)phenyl]-N-methylethanamine
CID 84666441
N-methylmethanamine;N-methyl-2-phenylethanamine
CID 22563284
ethane;N-methyl-2-[4-(methylaminomethyl)phenyl]ethanamine
CID 145117697
N-methyl-2-phenylethanamine;ytterbium(3+);trifluoride
CID 175294830
ethane;N-methyl-2-(4-propylphenyl)ethanamine
CID 143565028
lithium;hydride;N-methyl-2-phenylethanamine
CID 174675590
2-[4-(3,3-difluoropropyl)phenyl]-N-methylethanamine
CID 117304334
3-[4-[2-(methylamino)ethyl]phenyl]propyl thiohypofluorite
CID 138502739
2-[4-(1,1-difluoropropyl)phenyl]-N-methylethanamine
CID 116991893
2-[4-(3-methoxypropyl)phenyl]-N-methylethanamine
CID 117108047
4-[2-(methylamino)ethyl]benzonitrile;hydrochloride
CID 134690729
N,2,2-trimethyl-N-[[4-[2-(methylamino)ethyl]phenyl]methyl]propan-1-amine
CID 105347507

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(fluoroamino)ethyl]phenyl]-N-methylethanamine?
The IUPAC name of 2-[4-[2-(fluoroamino)ethyl]phenyl]-N-methylethanamine (CID 155050815) is 2-[4-[2-(fluoroamino)ethyl]phenyl]-N-methylethanamine.
What is the SMILES notation for 2-[4-[2-(fluoroamino)ethyl]phenyl]-N-methylethanamine?
The canonical SMILES for 2-[4-[2-(fluoroamino)ethyl]phenyl]-N-methylethanamine is CNCCc1ccc(CCNF)cc1.
What is the InChIKey of 2-[4-[2-(fluoroamino)ethyl]phenyl]-N-methylethanamine?
The InChIKey is QPNNYMNHUIQJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c1-13-8-6-10-2-4-11(5-3-10)7-9-14-12/h2-5,13-14H,6-9H2,1H3.
What are the key properties of 2-[4-[2-(fluoroamino)ethyl]phenyl]-N-methylethanamine?
2-[4-[2-(fluoroamino)ethyl]phenyl]-N-methylethanamine has a molecular weight of 196.27 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(fluoroamino)ethyl]phenyl]-N-methylethanamine is sourced from PubChem (CID 155050815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).