N-[2-(3-fluorophenyl)-2-(2-propan-2-yloxyethoxy)ethyl]-2-methylpropan-2-amine

C17H28FNO2 — CID 62108475

IUPACN-[2-(3-fluorophenyl)-2-(2-propan-2-yloxyethoxy)ethyl]-2-methylpropan-2-amine
SMILESCC(C)OCCOC(CNC(C)(C)C)c1cccc(F)c1
InChIInChI=1S/C17H28FNO2/c1-13(2)20-9-10-21-16(12-19-17(3,4)5)14-7-6-8-15(18)11-14/h6-8,11,13,16,19H,9-10,12H2,1-5H3
InChIKeyRASAUNSNBQWCLQ-UHFFFAOYSA-N
MW297.41 g/mol
LogP3.70
Rot. Bonds8

About N-[2-(3-fluorophenyl)-2-(2-propan-2-yloxyethoxy)ethyl]-2-methylpropan-2-amine

N-[2-(3-fluorophenyl)-2-(2-propan-2-yloxyethoxy)ethyl]-2-methylpropan-2-amine (PubChem CID 62108475) has the molecular formula C17H28FNO2 and a molecular weight of 297.41 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-2-(2-propan-2-yloxyethoxy)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-2-(2-propan-2-yloxyethoxy)ethyl]-2-methylpropan-2-amine
PubChem CID62108475
Molecular FormulaC17H28FNO2
Molecular Weight297.41 g/mol
Exact Mass297.21
IUPAC NameN-[2-(3-fluorophenyl)-2-(2-propan-2-yloxyethoxy)ethyl]-2-methylpropan-2-amine
SMILESCC(C)OCCOC(CNC(C)(C)C)c1cccc(F)c1
InChIInChI=1S/C17H28FNO2/c1-13(2)20-9-10-21-16(12-19-17(3,4)5)14-7-6-8-15(18)11-14/h6-8,11,13,16,19H,9-10,12H2,1-5H3
InChIKeyRASAUNSNBQWCLQ-UHFFFAOYSA-N
XLogP3.70
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-fluorophenyl)-2-hexoxyethyl]-2-methylpropan-2-amine
CID 63475905
N-tert-butyl-2-(3-fluorophenyl)-4-(2-methylpropoxy)butan-1-amine
CID 106457134
2-methyl-N-[2-(3-methylbutoxy)-2-(3-methylphenyl)ethyl]propan-2-amine
CID 63473544
(1R)-2-(tert-butylamino)-1-(3-fluorophenyl)ethanol
CID 67354588
N-[2-(3-bromophenyl)-2-(3,3,3-trifluoropropoxy)ethyl]-2-methylpropan-2-amine
CID 82962979
N-tert-butyl-2-(3-fluorophenyl)-5-methylhexan-1-amine
CID 79441221
N-[2-(2-cyclopropylethoxy)-2-(3-fluorophenyl)ethyl]propan-2-amine
CID 106204997
N-[2-(3-bromophenyl)-2-(4-methylpentoxy)ethyl]-2-methylpropan-2-amine
CID 63474821
N-[2-(2-ethoxyethoxy)-2-phenylethyl]-2-methylpropan-2-amine
CID 62108265
N-[2-(3-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine
CID 62110751
N-[2-(4-fluorophenyl)-2-(3-methoxypropoxy)ethyl]-2-methylpropan-2-amine
CID 62107518
N-[2-(3-methylphenyl)-2-(2-propan-2-yloxyethoxy)ethyl]propan-2-amine
CID 62108473

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-2-(2-propan-2-yloxyethoxy)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(3-fluorophenyl)-2-(2-propan-2-yloxyethoxy)ethyl]-2-methylpropan-2-amine (CID 62108475) is N-[2-(3-fluorophenyl)-2-(2-propan-2-yloxyethoxy)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(3-fluorophenyl)-2-(2-propan-2-yloxyethoxy)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(3-fluorophenyl)-2-(2-propan-2-yloxyethoxy)ethyl]-2-methylpropan-2-amine is CC(C)OCCOC(CNC(C)(C)C)c1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)-2-(2-propan-2-yloxyethoxy)ethyl]-2-methylpropan-2-amine?
The InChIKey is RASAUNSNBQWCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FNO2/c1-13(2)20-9-10-21-16(12-19-17(3,4)5)14-7-6-8-15(18)11-14/h6-8,11,13,16,19H,9-10,12H2,1-5H3.
What are the key properties of N-[2-(3-fluorophenyl)-2-(2-propan-2-yloxyethoxy)ethyl]-2-methylpropan-2-amine?
N-[2-(3-fluorophenyl)-2-(2-propan-2-yloxyethoxy)ethyl]-2-methylpropan-2-amine has a molecular weight of 297.41 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-2-(2-propan-2-yloxyethoxy)ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62108475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).