5-(2-fluorophenoxy)-2-(4-methylphenyl)pentan-1-amine

C18H22FNO — CID 82138009

IUPAC5-(2-fluorophenoxy)-2-(4-methylphenyl)pentan-1-amine
SMILESCc1ccc(C(CN)CCCOc2ccccc2F)cc1
InChIInChI=1S/C18H22FNO/c1-14-8-10-15(11-9-14)16(13-20)5-4-12-21-18-7-3-2-6-17(18)19/h2-3,6-11,16H,4-5,12-13,20H2,1H3
InChIKeyOSIIPLGOYIPWAO-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.04
Rot. Bonds7

About 5-(2-fluorophenoxy)-2-(4-methylphenyl)pentan-1-amine

5-(2-fluorophenoxy)-2-(4-methylphenyl)pentan-1-amine (PubChem CID 82138009) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 5-(2-fluorophenoxy)-2-(4-methylphenyl)pentan-1-amine.

Molecular Properties

Compound Name5-(2-fluorophenoxy)-2-(4-methylphenyl)pentan-1-amine
PubChem CID82138009
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name5-(2-fluorophenoxy)-2-(4-methylphenyl)pentan-1-amine
SMILESCc1ccc(C(CN)CCCOc2ccccc2F)cc1
InChIInChI=1S/C18H22FNO/c1-14-8-10-15(11-9-14)16(13-20)5-4-12-21-18-7-3-2-6-17(18)19/h2-3,6-11,16H,4-5,12-13,20H2,1H3
InChIKeyOSIIPLGOYIPWAO-UHFFFAOYSA-N
XLogP4.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.04
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

4-(2-fluorophenoxy)-2-(4-methylphenyl)butan-1-amine
CID 82138025
4-(2-fluorophenoxy)-2-(4-methoxyphenyl)butan-1-amine
CID 82138375
5-(2,4-difluorophenoxy)-2-phenylpentan-1-amine
CID 82137950
2-(4-methoxyphenyl)-5-(2-methylphenoxy)pentan-1-amine
CID 82138370
2-(3-fluorophenyl)-5-(2-methylphenoxy)pentan-1-amine
CID 82138304
1-fluoro-2-(3-methylsulfanylpropoxy)benzene
CID 115647517
1-amino-4-(2-fluorophenoxy)butan-2-ol
CID 55268408
4-(2-methoxy-4-methylphenoxy)-2-(4-methylphenyl)butan-1-amine
CID 82138051
2-(2-fluorophenoxy)ethyl 4-methylbenzoate
CID 2363713
2-(4-fluorophenyl)hexan-1-amine
CID 79442321
2-(4-methylphenyl)-5-phenoxypentan-1-ol
CID 79437004
1-[4-(2-fluorophenoxy)butoxy]-2-methoxy-4-methylbenzene
CID 2899565

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenoxy)-2-(4-methylphenyl)pentan-1-amine?
The IUPAC name of 5-(2-fluorophenoxy)-2-(4-methylphenyl)pentan-1-amine (CID 82138009) is 5-(2-fluorophenoxy)-2-(4-methylphenyl)pentan-1-amine.
What is the SMILES notation for 5-(2-fluorophenoxy)-2-(4-methylphenyl)pentan-1-amine?
The canonical SMILES for 5-(2-fluorophenoxy)-2-(4-methylphenyl)pentan-1-amine is Cc1ccc(C(CN)CCCOc2ccccc2F)cc1.
What is the InChIKey of 5-(2-fluorophenoxy)-2-(4-methylphenyl)pentan-1-amine?
The InChIKey is OSIIPLGOYIPWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-14-8-10-15(11-9-14)16(13-20)5-4-12-21-18-7-3-2-6-17(18)19/h2-3,6-11,16H,4-5,12-13,20H2,1H3.
What are the key properties of 5-(2-fluorophenoxy)-2-(4-methylphenyl)pentan-1-amine?
5-(2-fluorophenoxy)-2-(4-methylphenyl)pentan-1-amine has a molecular weight of 287.38 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenoxy)-2-(4-methylphenyl)pentan-1-amine is sourced from PubChem (CID 82138009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).