5-(2,4-difluorophenoxy)-2-phenylpentan-1-amine

C17H19F2NO — CID 82137950

IUPAC5-(2,4-difluorophenoxy)-2-phenylpentan-1-amine
SMILESNCC(CCCOc1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C17H19F2NO/c18-15-8-9-17(16(19)11-15)21-10-4-7-14(12-20)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,14H,4,7,10,12,20H2
InChIKeyZUXCXIWQEFDTHX-UHFFFAOYSA-N
MW291.34 g/mol
LogP3.87
Rot. Bonds7

About 5-(2,4-difluorophenoxy)-2-phenylpentan-1-amine

5-(2,4-difluorophenoxy)-2-phenylpentan-1-amine (PubChem CID 82137950) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is 5-(2,4-difluorophenoxy)-2-phenylpentan-1-amine.

Molecular Properties

Compound Name5-(2,4-difluorophenoxy)-2-phenylpentan-1-amine
PubChem CID82137950
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name5-(2,4-difluorophenoxy)-2-phenylpentan-1-amine
SMILESNCC(CCCOc1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C17H19F2NO/c18-15-8-9-17(16(19)11-15)21-10-4-7-14(12-20)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,14H,4,7,10,12,20H2
InChIKeyZUXCXIWQEFDTHX-UHFFFAOYSA-N
XLogP3.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 53.87
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-fluorophenoxy)-2-(4-methylphenyl)pentan-1-amine
CID 82138009
2-(3-fluorophenyl)-5-(2-methylphenoxy)pentan-1-amine
CID 82138304
4-(2,4-difluorophenoxy)butan-1-amine;hydrochloride
CID 86262593
[2-[3-(2,4-difluorophenoxy)propoxy]phenyl]methanamine
CID 43254007
2-phenylpentane-1,5-diamine
CID 22770284
6-(2,4-difluorophenoxy)hexan-3-amine
CID 106800648
4-(2-fluorophenoxy)-2-(4-methylphenyl)butan-1-amine
CID 82138025
CID 89282398
CID 89282398
6-phenoxy-2-phenylhexan-1-amine
CID 79015445
4-(2-fluorophenoxy)-2-(4-methoxyphenyl)butan-1-amine
CID 82138375
methyl 2-[4-(2,4-difluorophenoxy)butanoylamino]-2-phenylacetate
CID 60609905
4-(2,4-difluorophenoxy)-2-ethoxybutan-1-amine
CID 63071046

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenoxy)-2-phenylpentan-1-amine?
The IUPAC name of 5-(2,4-difluorophenoxy)-2-phenylpentan-1-amine (CID 82137950) is 5-(2,4-difluorophenoxy)-2-phenylpentan-1-amine.
What is the SMILES notation for 5-(2,4-difluorophenoxy)-2-phenylpentan-1-amine?
The canonical SMILES for 5-(2,4-difluorophenoxy)-2-phenylpentan-1-amine is NCC(CCCOc1ccc(F)cc1F)c1ccccc1.
What is the InChIKey of 5-(2,4-difluorophenoxy)-2-phenylpentan-1-amine?
The InChIKey is ZUXCXIWQEFDTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c18-15-8-9-17(16(19)11-15)21-10-4-7-14(12-20)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,14H,4,7,10,12,20H2.
What are the key properties of 5-(2,4-difluorophenoxy)-2-phenylpentan-1-amine?
5-(2,4-difluorophenoxy)-2-phenylpentan-1-amine has a molecular weight of 291.34 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenoxy)-2-phenylpentan-1-amine is sourced from PubChem (CID 82137950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).