N-(2-fluoroethyl)-2-phenoxyethanamine

C10H14FNO — CID 80694190

IUPACN-(2-fluoroethyl)-2-phenoxyethanamine
SMILESFCCNCCOc1ccccc1
InChIInChI=1S/C10H14FNO/c11-6-7-12-8-9-13-10-4-2-1-3-5-10/h1-5,12H,6-9H2
InChIKeyALSQSQJMYCULOG-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.62
Rot. Bonds6

About N-(2-fluoroethyl)-2-phenoxyethanamine

N-(2-fluoroethyl)-2-phenoxyethanamine (PubChem CID 80694190) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is N-(2-fluoroethyl)-2-phenoxyethanamine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-2-phenoxyethanamine
PubChem CID80694190
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC NameN-(2-fluoroethyl)-2-phenoxyethanamine
SMILESFCCNCCOc1ccccc1
InChIInChI=1S/C10H14FNO/c11-6-7-12-8-9-13-10-4-2-1-3-5-10/h1-5,12H,6-9H2
InChIKeyALSQSQJMYCULOG-UHFFFAOYSA-N
XLogP1.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride
CID 18793133
N-(2-phenoxyethyl)propan-1-amine
CID 6453152
N-[2-(4-methylphenoxy)ethyl]-2-phenoxyethanamine;hydrochloride
CID 18793114
4-bromo-N-(2-phenoxyethyl)butan-1-amine
CID 106844867
2-(2-chloroethoxy)-N-(2-phenoxyethyl)ethanamine
CID 65024254
2,2,3,3-tetrafluoro-N-(2-phenoxyethyl)propan-1-amine
CID 114169263
2-(2-phenoxyethylamino)acetic acid
CID 13236095
3-chloro-N-(2-phenoxyethyl)butan-1-amine
CID 65024522
N-(2-phenoxyethyl)-3-propan-2-yloxypropan-1-amine
CID 60691183
N-[2-(2-chloroethoxy)ethyl]-3-phenoxypropan-1-amine
CID 65023904
N-[2-(2-methoxyethoxy)ethyl]-3-phenoxypropan-1-amine
CID 62937995
N'-tert-butyl-N-(2-phenoxyethyl)propane-1,3-diamine
CID 115574633

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-2-phenoxyethanamine?
The IUPAC name of N-(2-fluoroethyl)-2-phenoxyethanamine (CID 80694190) is N-(2-fluoroethyl)-2-phenoxyethanamine.
What is the SMILES notation for N-(2-fluoroethyl)-2-phenoxyethanamine?
The canonical SMILES for N-(2-fluoroethyl)-2-phenoxyethanamine is FCCNCCOc1ccccc1.
What is the InChIKey of N-(2-fluoroethyl)-2-phenoxyethanamine?
The InChIKey is ALSQSQJMYCULOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c11-6-7-12-8-9-13-10-4-2-1-3-5-10/h1-5,12H,6-9H2.
What are the key properties of N-(2-fluoroethyl)-2-phenoxyethanamine?
N-(2-fluoroethyl)-2-phenoxyethanamine has a molecular weight of 183.23 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-2-phenoxyethanamine is sourced from PubChem (CID 80694190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).