6-[2-(difluoromethoxy)-3-methylphenoxy]hexan-1-amine

C14H21F2NO2 — CID 71074564

IUPAC6-[2-(difluoromethoxy)-3-methylphenoxy]hexan-1-amine
SMILESCc1cccc(OCCCCCCN)c1OC(F)F
InChIInChI=1S/C14H21F2NO2/c1-11-7-6-8-12(13(11)19-14(15)16)18-10-5-3-2-4-9-17/h6-8,14H,2-5,9-10,17H2,1H3
InChIKeyRICUILSEBWCUEQ-UHFFFAOYSA-N
MW273.32 g/mol
LogP3.49
Rot. Bonds9

About 6-[2-(difluoromethoxy)-3-methylphenoxy]hexan-1-amine

6-[2-(difluoromethoxy)-3-methylphenoxy]hexan-1-amine (PubChem CID 71074564) has the molecular formula C14H21F2NO2 and a molecular weight of 273.32 g/mol. Its IUPAC name is 6-[2-(difluoromethoxy)-3-methylphenoxy]hexan-1-amine.

Molecular Properties

Compound Name6-[2-(difluoromethoxy)-3-methylphenoxy]hexan-1-amine
PubChem CID71074564
Molecular FormulaC14H21F2NO2
Molecular Weight273.32 g/mol
Exact Mass273.15
IUPAC Name6-[2-(difluoromethoxy)-3-methylphenoxy]hexan-1-amine
SMILESCc1cccc(OCCCCCCN)c1OC(F)F
InChIInChI=1S/C14H21F2NO2/c1-11-7-6-8-12(13(11)19-14(15)16)18-10-5-3-2-4-9-17/h6-8,14H,2-5,9-10,17H2,1H3
InChIKeyRICUILSEBWCUEQ-UHFFFAOYSA-N
XLogP3.49
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[2-(2,6-dimethylphenoxy)ethoxy]pentan-1-amine
CID 82353657
7-amino-N-[2-(difluoromethoxy)-6-methylphenyl]heptanamide
CID 119764624
4-(2-propan-2-yloxyphenoxy)butan-1-amine
CID 164512443
6-(2,6-difluorophenoxy)hexan-1-amine
CID 68648906
6-(2-ethoxyphenoxy)hexan-1-amine;hydrochloride
CID 164512453
2-fluoro-1-hexoxy-3-methylbenzene
CID 107662011
2-[4-(2-methylphenoxy)butoxy]ethanamine
CID 82352615
3-[3-(2-methylphenoxy)propoxy]propan-1-amine
CID 82353342
11-[2-(3-carboxypropoxy)-6-methylphenoxy]undecanoic acid
CID 18796148
13-[2-(3-carboxypropoxy)-3-methylphenoxy]tridecanoic acid
CID 18795889
4-(2-methyl-6-propan-2-yloxyphenyl)butan-1-amine
CID 117317050
1-(4-chlorobutoxy)-3-methyl-2-(2-methylphenyl)benzene
CID 70494142

Frequently Asked Questions

What is the IUPAC name of 6-[2-(difluoromethoxy)-3-methylphenoxy]hexan-1-amine?
The IUPAC name of 6-[2-(difluoromethoxy)-3-methylphenoxy]hexan-1-amine (CID 71074564) is 6-[2-(difluoromethoxy)-3-methylphenoxy]hexan-1-amine.
What is the SMILES notation for 6-[2-(difluoromethoxy)-3-methylphenoxy]hexan-1-amine?
The canonical SMILES for 6-[2-(difluoromethoxy)-3-methylphenoxy]hexan-1-amine is Cc1cccc(OCCCCCCN)c1OC(F)F.
What is the InChIKey of 6-[2-(difluoromethoxy)-3-methylphenoxy]hexan-1-amine?
The InChIKey is RICUILSEBWCUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO2/c1-11-7-6-8-12(13(11)19-14(15)16)18-10-5-3-2-4-9-17/h6-8,14H,2-5,9-10,17H2,1H3.
What are the key properties of 6-[2-(difluoromethoxy)-3-methylphenoxy]hexan-1-amine?
6-[2-(difluoromethoxy)-3-methylphenoxy]hexan-1-amine has a molecular weight of 273.32 g/mol, XLogP of 3.49, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(difluoromethoxy)-3-methylphenoxy]hexan-1-amine is sourced from PubChem (CID 71074564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).