(2R)-3-[3-ethyl-5-[2-(2-methoxyethoxy)ethyl]phenoxy]-2-fluoropropan-1-amine

C16H26FNO3 — CID 118527499

IUPAC(2R)-3-[3-ethyl-5-[2-(2-methoxyethoxy)ethyl]phenoxy]-2-fluoropropan-1-amine
SMILESCCc1cc(CCOCCOC)cc(OC[C@H](F)CN)c1
InChIInChI=1S/C16H26FNO3/c1-3-13-8-14(4-5-20-7-6-19-2)10-16(9-13)21-12-15(17)11-18/h8-10,15H,3-7,11-12,18H2,1-2H3/t15-/m1/s1
InChIKeyXETDBZWEPWZPHL-OAHLLOKOSA-N
MW299.39 g/mol
LogP2.13
Rot. Bonds11

About (2R)-3-[3-ethyl-5-[2-(2-methoxyethoxy)ethyl]phenoxy]-2-fluoropropan-1-amine

(2R)-3-[3-ethyl-5-[2-(2-methoxyethoxy)ethyl]phenoxy]-2-fluoropropan-1-amine (PubChem CID 118527499) has the molecular formula C16H26FNO3 and a molecular weight of 299.39 g/mol. Its IUPAC name is (2R)-3-[3-ethyl-5-[2-(2-methoxyethoxy)ethyl]phenoxy]-2-fluoropropan-1-amine.

Molecular Properties

Compound Name(2R)-3-[3-ethyl-5-[2-(2-methoxyethoxy)ethyl]phenoxy]-2-fluoropropan-1-amine
PubChem CID118527499
Molecular FormulaC16H26FNO3
Molecular Weight299.39 g/mol
Exact Mass299.19
IUPAC Name(2R)-3-[3-ethyl-5-[2-(2-methoxyethoxy)ethyl]phenoxy]-2-fluoropropan-1-amine
SMILESCCc1cc(CCOCCOC)cc(OC[C@H](F)CN)c1
InChIInChI=1S/C16H26FNO3/c1-3-13-8-14(4-5-20-7-6-19-2)10-16(9-13)21-12-15(17)11-18/h8-10,15H,3-7,11-12,18H2,1-2H3/t15-/m1/s1
InChIKeyXETDBZWEPWZPHL-OAHLLOKOSA-N
XLogP2.13
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-[3-ethyl-5-[2-(2-methoxyethoxy)ethyl]phenoxy]-2-fluoropropan-1-amine?
The IUPAC name of (2R)-3-[3-ethyl-5-[2-(2-methoxyethoxy)ethyl]phenoxy]-2-fluoropropan-1-amine (CID 118527499) is (2R)-3-[3-ethyl-5-[2-(2-methoxyethoxy)ethyl]phenoxy]-2-fluoropropan-1-amine.
What is the SMILES notation for (2R)-3-[3-ethyl-5-[2-(2-methoxyethoxy)ethyl]phenoxy]-2-fluoropropan-1-amine?
The canonical SMILES for (2R)-3-[3-ethyl-5-[2-(2-methoxyethoxy)ethyl]phenoxy]-2-fluoropropan-1-amine is CCc1cc(CCOCCOC)cc(OC[C@H](F)CN)c1.
What is the InChIKey of (2R)-3-[3-ethyl-5-[2-(2-methoxyethoxy)ethyl]phenoxy]-2-fluoropropan-1-amine?
The InChIKey is XETDBZWEPWZPHL-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H26FNO3/c1-3-13-8-14(4-5-20-7-6-19-2)10-16(9-13)21-12-15(17)11-18/h8-10,15H,3-7,11-12,18H2,1-2H3/t15-/m1/s1.
What are the key properties of (2R)-3-[3-ethyl-5-[2-(2-methoxyethoxy)ethyl]phenoxy]-2-fluoropropan-1-amine?
(2R)-3-[3-ethyl-5-[2-(2-methoxyethoxy)ethyl]phenoxy]-2-fluoropropan-1-amine has a molecular weight of 299.39 g/mol, XLogP of 2.13, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[3-ethyl-5-[2-(2-methoxyethoxy)ethyl]phenoxy]-2-fluoropropan-1-amine is sourced from PubChem (CID 118527499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).