N-[2-(3-fluoro-4-methylphenoxy)ethyl]-2-methylbutan-2-amine

C14H22FNO — CID 107170931

IUPACN-[2-(3-fluoro-4-methylphenoxy)ethyl]-2-methylbutan-2-amine
SMILESCCC(C)(C)NCCOc1ccc(C)c(F)c1
InChIInChI=1S/C14H22FNO/c1-5-14(3,4)16-8-9-17-12-7-6-11(2)13(15)10-12/h6-7,10,16H,5,8-9H2,1-4H3
InChIKeyIOVJSQAKTIGGPG-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.29
Rot. Bonds6

About N-[2-(3-fluoro-4-methylphenoxy)ethyl]-2-methylbutan-2-amine

N-[2-(3-fluoro-4-methylphenoxy)ethyl]-2-methylbutan-2-amine (PubChem CID 107170931) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is N-[2-(3-fluoro-4-methylphenoxy)ethyl]-2-methylbutan-2-amine.

Molecular Properties

Compound NameN-[2-(3-fluoro-4-methylphenoxy)ethyl]-2-methylbutan-2-amine
PubChem CID107170931
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC NameN-[2-(3-fluoro-4-methylphenoxy)ethyl]-2-methylbutan-2-amine
SMILESCCC(C)(C)NCCOc1ccc(C)c(F)c1
InChIInChI=1S/C14H22FNO/c1-5-14(3,4)16-8-9-17-12-7-6-11(2)13(15)10-12/h6-7,10,16H,5,8-9H2,1-4H3
InChIKeyIOVJSQAKTIGGPG-UHFFFAOYSA-N
XLogP3.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.29
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

2-fluoro-4-hexoxy-1-methylbenzene
CID 58718900
2-fluoro-4-(2-methoxyethoxy)-1-methylbenzene
CID 21363868
3-(3-fluoro-4-methylphenoxy)propan-1-ol
CID 107170036
2-fluoro-4-(4-methoxybutoxy)-1-methylbenzene
CID 107171353
2-methyl-N-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]butan-2-amine
CID 63515727
2-fluoro-4-(fluoromethoxy)-1-methylbenzene;fluoromethane
CID 91055854
N-[2-(3-fluoro-4-methylphenoxy)ethyl]cycloheptanamine
CID 107170950
2-methyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]butan-2-amine
CID 116793754
2-fluoro-4-(methoxymethoxy)-1-methylbenzene
CID 54289403
2-fluoro-1-methyl-4-(4-methylpentoxy)benzene
CID 107171422
9-(3-fluoro-4-methylphenoxy)nonane-1-thiol
CID 107171679
N-[2-(2-bromo-4-chloro-5-fluorophenoxy)ethyl]-2-methylbutan-2-amine
CID 114042841

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoro-4-methylphenoxy)ethyl]-2-methylbutan-2-amine?
The IUPAC name of N-[2-(3-fluoro-4-methylphenoxy)ethyl]-2-methylbutan-2-amine (CID 107170931) is N-[2-(3-fluoro-4-methylphenoxy)ethyl]-2-methylbutan-2-amine.
What is the SMILES notation for N-[2-(3-fluoro-4-methylphenoxy)ethyl]-2-methylbutan-2-amine?
The canonical SMILES for N-[2-(3-fluoro-4-methylphenoxy)ethyl]-2-methylbutan-2-amine is CCC(C)(C)NCCOc1ccc(C)c(F)c1.
What is the InChIKey of N-[2-(3-fluoro-4-methylphenoxy)ethyl]-2-methylbutan-2-amine?
The InChIKey is IOVJSQAKTIGGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-5-14(3,4)16-8-9-17-12-7-6-11(2)13(15)10-12/h6-7,10,16H,5,8-9H2,1-4H3.
What are the key properties of N-[2-(3-fluoro-4-methylphenoxy)ethyl]-2-methylbutan-2-amine?
N-[2-(3-fluoro-4-methylphenoxy)ethyl]-2-methylbutan-2-amine has a molecular weight of 239.33 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoro-4-methylphenoxy)ethyl]-2-methylbutan-2-amine is sourced from PubChem (CID 107170931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).