N-ethyl-5-[(2-fluorophenyl)methoxy]pentan-2-amine

C14H22FNO — CID 63935925

IUPACN-ethyl-5-[(2-fluorophenyl)methoxy]pentan-2-amine
SMILESCCNC(C)CCCOCc1ccccc1F
InChIInChI=1S/C14H22FNO/c1-3-16-12(2)7-6-10-17-11-13-8-4-5-9-14(13)15/h4-5,8-9,12,16H,3,6-7,10-11H2,1-2H3
InChIKeyCAGBAYAXAWCTNC-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.12
Rot. Bonds8

About N-ethyl-5-[(2-fluorophenyl)methoxy]pentan-2-amine

N-ethyl-5-[(2-fluorophenyl)methoxy]pentan-2-amine (PubChem CID 63935925) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is N-ethyl-5-[(2-fluorophenyl)methoxy]pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[(2-fluorophenyl)methoxy]pentan-2-amine
PubChem CID63935925
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC NameN-ethyl-5-[(2-fluorophenyl)methoxy]pentan-2-amine
SMILESCCNC(C)CCCOCc1ccccc1F
InChIInChI=1S/C14H22FNO/c1-3-16-12(2)7-6-10-17-11-13-8-4-5-9-14(13)15/h4-5,8-9,12,16H,3,6-7,10-11H2,1-2H3
InChIKeyCAGBAYAXAWCTNC-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.12
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

1-fluoro-2-(3-methylbutoxymethyl)benzene
CID 91704397
N-[2-[(2-fluorophenyl)methoxy]ethyl]pentan-3-amine
CID 63937396
3-[(2-fluorophenyl)methoxy]propan-1-ol
CID 23325115
5-[(2-fluorophenyl)methoxy]-N-propylpentan-1-amine
CID 63937972
N-ethyl-1-[2-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 43279629
1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene
CID 67509440
1-cyclohexyl-N-ethyl-2-[(2-fluorophenyl)methoxy]ethanamine
CID 104749468
1-fluoro-2-(2-methylbutoxymethyl)benzene
CID 91704394
5-ethoxy-2-[(2-fluorophenyl)methyl]-N-(2-methylpropyl)pentan-1-amine
CID 65181083
5-(2,5-difluorophenoxy)-N-ethylpentan-2-amine
CID 55169271
N-(dicyclopropylmethyl)-2-[(2-fluorophenyl)methoxy]ethanamine
CID 63937397
N-ethyl-2-[2-(4-methylpentoxymethyl)phenyl]ethanamine
CID 115464625

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[(2-fluorophenyl)methoxy]pentan-2-amine?
The IUPAC name of N-ethyl-5-[(2-fluorophenyl)methoxy]pentan-2-amine (CID 63935925) is N-ethyl-5-[(2-fluorophenyl)methoxy]pentan-2-amine.
What is the SMILES notation for N-ethyl-5-[(2-fluorophenyl)methoxy]pentan-2-amine?
The canonical SMILES for N-ethyl-5-[(2-fluorophenyl)methoxy]pentan-2-amine is CCNC(C)CCCOCc1ccccc1F.
What is the InChIKey of N-ethyl-5-[(2-fluorophenyl)methoxy]pentan-2-amine?
The InChIKey is CAGBAYAXAWCTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-3-16-12(2)7-6-10-17-11-13-8-4-5-9-14(13)15/h4-5,8-9,12,16H,3,6-7,10-11H2,1-2H3.
What are the key properties of N-ethyl-5-[(2-fluorophenyl)methoxy]pentan-2-amine?
N-ethyl-5-[(2-fluorophenyl)methoxy]pentan-2-amine has a molecular weight of 239.33 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[(2-fluorophenyl)methoxy]pentan-2-amine is sourced from PubChem (CID 63935925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).