5-(3,5-difluorophenoxy)-N-(2-methylpropyl)pentan-1-amine

C15H23F2NO — CID 62784161

IUPAC5-(3,5-difluorophenoxy)-N-(2-methylpropyl)pentan-1-amine
SMILESCC(C)CNCCCCCOc1cc(F)cc(F)c1
InChIInChI=1S/C15H23F2NO/c1-12(2)11-18-6-4-3-5-7-19-15-9-13(16)8-14(17)10-15/h8-10,12,18H,3-7,11H2,1-2H3
InChIKeyZAYYCYKHOMICBS-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.76
Rot. Bonds9

About 5-(3,5-difluorophenoxy)-N-(2-methylpropyl)pentan-1-amine

5-(3,5-difluorophenoxy)-N-(2-methylpropyl)pentan-1-amine (PubChem CID 62784161) has the molecular formula C15H23F2NO and a molecular weight of 271.35 g/mol. Its IUPAC name is 5-(3,5-difluorophenoxy)-N-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound Name5-(3,5-difluorophenoxy)-N-(2-methylpropyl)pentan-1-amine
PubChem CID62784161
Molecular FormulaC15H23F2NO
Molecular Weight271.35 g/mol
Exact Mass271.17
IUPAC Name5-(3,5-difluorophenoxy)-N-(2-methylpropyl)pentan-1-amine
SMILESCC(C)CNCCCCCOc1cc(F)cc(F)c1
InChIInChI=1S/C15H23F2NO/c1-12(2)11-18-6-4-3-5-7-19-15-9-13(16)8-14(17)10-15/h8-10,12,18H,3-7,11H2,1-2H3
InChIKeyZAYYCYKHOMICBS-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.76
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

N-[3-(3,5-difluorophenoxy)propyl]-2-methylpropan-1-amine
CID 62783978
5-(4-bromo-3,5-dimethylphenoxy)-N-(2-methylpropyl)pentan-1-amine
CID 107726323
N-[2-(3,5-difluorophenoxy)ethyl]hexan-1-amine
CID 62783809
N-(2-methylpropyl)-5-naphthalen-2-yloxypentan-1-amine
CID 63498763
N-[(3-fluoro-5-hept-6-enoxyphenyl)methyl]-2-methylpropan-1-amine
CID 107006338
N,N-dimethyl-3-[4-(2-methylpropylamino)butoxy]aniline
CID 62485229
N-[2-(4-fluorophenoxy)ethyl]-2-methylpropan-1-amine
CID 60685910
1,3-difluoro-5-methylbenzene;N'-(2-methylpropyl)propane-1,3-diamine
CID 142349945
7-methoxy-N-(2-methylpropyl)heptan-1-amine
CID 104650031
N-[[5-[(3,5-difluorophenoxy)methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107558865
2-methyl-N-[3-(4-propoxyphenoxy)propyl]propan-1-amine
CID 62485131
6-(3-chloro-2-fluorophenoxy)-N-(2-methylpropyl)hexan-1-amine
CID 116690384

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenoxy)-N-(2-methylpropyl)pentan-1-amine?
The IUPAC name of 5-(3,5-difluorophenoxy)-N-(2-methylpropyl)pentan-1-amine (CID 62784161) is 5-(3,5-difluorophenoxy)-N-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for 5-(3,5-difluorophenoxy)-N-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for 5-(3,5-difluorophenoxy)-N-(2-methylpropyl)pentan-1-amine is CC(C)CNCCCCCOc1cc(F)cc(F)c1.
What is the InChIKey of 5-(3,5-difluorophenoxy)-N-(2-methylpropyl)pentan-1-amine?
The InChIKey is ZAYYCYKHOMICBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO/c1-12(2)11-18-6-4-3-5-7-19-15-9-13(16)8-14(17)10-15/h8-10,12,18H,3-7,11H2,1-2H3.
What are the key properties of 5-(3,5-difluorophenoxy)-N-(2-methylpropyl)pentan-1-amine?
5-(3,5-difluorophenoxy)-N-(2-methylpropyl)pentan-1-amine has a molecular weight of 271.35 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluorophenoxy)-N-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 62784161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).