5-(3-chloro-2-fluorophenoxy)-N-methylpentan-1-amine

C12H17ClFNO — CID 116690269

IUPAC5-(3-chloro-2-fluorophenoxy)-N-methylpentan-1-amine
SMILESCNCCCCCOc1cccc(Cl)c1F
InChIInChI=1S/C12H17ClFNO/c1-15-8-3-2-4-9-16-11-7-5-6-10(13)12(11)14/h5-7,15H,2-4,8-9H2,1H3
InChIKeyPCZKDXCJRCLGNR-UHFFFAOYSA-N
MW245.72 g/mol
LogP3.25
Rot. Bonds7

About 5-(3-chloro-2-fluorophenoxy)-N-methylpentan-1-amine

5-(3-chloro-2-fluorophenoxy)-N-methylpentan-1-amine (PubChem CID 116690269) has the molecular formula C12H17ClFNO and a molecular weight of 245.72 g/mol. Its IUPAC name is 5-(3-chloro-2-fluorophenoxy)-N-methylpentan-1-amine.

Molecular Properties

Compound Name5-(3-chloro-2-fluorophenoxy)-N-methylpentan-1-amine
PubChem CID116690269
Molecular FormulaC12H17ClFNO
Molecular Weight245.72 g/mol
Exact Mass245.10
IUPAC Name5-(3-chloro-2-fluorophenoxy)-N-methylpentan-1-amine
SMILESCNCCCCCOc1cccc(Cl)c1F
InChIInChI=1S/C12H17ClFNO/c1-15-8-3-2-4-9-16-11-7-5-6-10(13)12(11)14/h5-7,15H,2-4,8-9H2,1H3
InChIKeyPCZKDXCJRCLGNR-UHFFFAOYSA-N
XLogP3.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.72
LogP ≤ 53.25
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

3-(3-chloro-2-fluorophenoxy)-N-methylpropan-1-amine
CID 116689634
6-(3-chloro-2-fluorophenoxy)-N-(2-methylpropyl)hexan-1-amine
CID 116690384
1-chloro-3-(4-chlorobutoxy)-2-fluorobenzene
CID 116688904
N-[4-(3-chloro-2-fluorophenoxy)butyl]cyclopropanamine
CID 116690398
5-(2-fluorophenoxy)-N-methylpentan-1-amine
CID 62453005
1-chloro-2-fluoro-3-propoxybenzene
CID 125116301
N-[2-(3-chloro-2-fluorophenoxy)ethyl]-2-methoxyethanamine
CID 116690537
5-(2,3-dimethylphenoxy)-N-methylpentan-1-amine
CID 62455061
5-(2,5-difluorophenoxy)-N-methylpentan-1-amine
CID 63273148
N-methyl-5-[2-(trifluoromethyl)phenoxy]pentan-1-amine
CID 62451818
5-(2-chloro-5-methylphenoxy)-N-methylpentan-1-amine
CID 62485519
N-[2-(3-chloro-2-fluorophenoxy)ethyl]heptan-2-amine
CID 116690499

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-fluorophenoxy)-N-methylpentan-1-amine?
The IUPAC name of 5-(3-chloro-2-fluorophenoxy)-N-methylpentan-1-amine (CID 116690269) is 5-(3-chloro-2-fluorophenoxy)-N-methylpentan-1-amine.
What is the SMILES notation for 5-(3-chloro-2-fluorophenoxy)-N-methylpentan-1-amine?
The canonical SMILES for 5-(3-chloro-2-fluorophenoxy)-N-methylpentan-1-amine is CNCCCCCOc1cccc(Cl)c1F.
What is the InChIKey of 5-(3-chloro-2-fluorophenoxy)-N-methylpentan-1-amine?
The InChIKey is PCZKDXCJRCLGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFNO/c1-15-8-3-2-4-9-16-11-7-5-6-10(13)12(11)14/h5-7,15H,2-4,8-9H2,1H3.
What are the key properties of 5-(3-chloro-2-fluorophenoxy)-N-methylpentan-1-amine?
5-(3-chloro-2-fluorophenoxy)-N-methylpentan-1-amine has a molecular weight of 245.72 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-fluorophenoxy)-N-methylpentan-1-amine is sourced from PubChem (CID 116690269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).