2-(3-fluorophenyl)-5-(2-methylphenoxy)pentan-1-amine

C18H22FNO — CID 82138304

IUPAC2-(3-fluorophenyl)-5-(2-methylphenoxy)pentan-1-amine
SMILESCc1ccccc1OCCCC(CN)c1cccc(F)c1
InChIInChI=1S/C18H22FNO/c1-14-6-2-3-10-18(14)21-11-5-8-16(13-20)15-7-4-9-17(19)12-15/h2-4,6-7,9-10,12,16H,5,8,11,13,20H2,1H3
InChIKeyGVGSMXKIJBXMBO-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.04
Rot. Bonds7

About 2-(3-fluorophenyl)-5-(2-methylphenoxy)pentan-1-amine

2-(3-fluorophenyl)-5-(2-methylphenoxy)pentan-1-amine (PubChem CID 82138304) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-(2-methylphenoxy)pentan-1-amine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-(2-methylphenoxy)pentan-1-amine
PubChem CID82138304
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name2-(3-fluorophenyl)-5-(2-methylphenoxy)pentan-1-amine
SMILESCc1ccccc1OCCCC(CN)c1cccc(F)c1
InChIInChI=1S/C18H22FNO/c1-14-6-2-3-10-18(14)21-11-5-8-16(13-20)15-7-4-9-17(19)12-15/h2-4,6-7,9-10,12,16H,5,8,11,13,20H2,1H3
InChIKeyGVGSMXKIJBXMBO-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

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-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 79441142
2-(3-fluorophenyl)-5-phenylpentan-1-amine
CID 79015149
5-(2-fluorophenoxy)-2-(4-methylphenyl)pentan-1-amine
CID 82138009
2-(3-fluorophenyl)-4-(2-methylpropoxy)butan-1-amine
CID 106457132
4-(2-methoxyphenoxy)-2-(3-methylphenyl)butan-1-amine
CID 79422486
4-(3,4-difluorophenoxy)-2-(3-fluorophenyl)butan-1-amine
CID 82138332
2-(3-methoxyphenyl)-5-(4-methylphenoxy)pentan-1-amine
CID 82138429
4-(4-fluorophenoxy)-2-(3-methoxyphenyl)butan-1-amine
CID 82138439
2-(3-fluorophenyl)-4-methylsulfonylbutan-1-amine
CID 79440305
(2S)-3-amino-2-(3-fluorophenyl)propan-1-ol
CID 124510156

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-(2-methylphenoxy)pentan-1-amine?
The IUPAC name of 2-(3-fluorophenyl)-5-(2-methylphenoxy)pentan-1-amine (CID 82138304) is 2-(3-fluorophenyl)-5-(2-methylphenoxy)pentan-1-amine.
What is the SMILES notation for 2-(3-fluorophenyl)-5-(2-methylphenoxy)pentan-1-amine?
The canonical SMILES for 2-(3-fluorophenyl)-5-(2-methylphenoxy)pentan-1-amine is Cc1ccccc1OCCCC(CN)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-5-(2-methylphenoxy)pentan-1-amine?
The InChIKey is GVGSMXKIJBXMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-14-6-2-3-10-18(14)21-11-5-8-16(13-20)15-7-4-9-17(19)12-15/h2-4,6-7,9-10,12,16H,5,8,11,13,20H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-5-(2-methylphenoxy)pentan-1-amine?
2-(3-fluorophenyl)-5-(2-methylphenoxy)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 2-(3-fluorophenyl)-5-(2-methylphenoxy)pentan-1-amine is sourced from PubChem (CID 82138304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).