6-(3-chloro-2-fluorophenoxy)-N-(2-methylpropyl)hexan-1-amine

C16H25ClFNO — CID 116690384

IUPAC6-(3-chloro-2-fluorophenoxy)-N-(2-methylpropyl)hexan-1-amine
SMILESCC(C)CNCCCCCCOc1cccc(Cl)c1F
InChIInChI=1S/C16H25ClFNO/c1-13(2)12-19-10-5-3-4-6-11-20-15-9-7-8-14(17)16(15)18/h7-9,13,19H,3-6,10-12H2,1-2H3
InChIKeyDZULBOCNAGHLHP-UHFFFAOYSA-N
MW301.83 g/mol
LogP4.66
Rot. Bonds10

About 6-(3-chloro-2-fluorophenoxy)-N-(2-methylpropyl)hexan-1-amine

6-(3-chloro-2-fluorophenoxy)-N-(2-methylpropyl)hexan-1-amine (PubChem CID 116690384) has the molecular formula C16H25ClFNO and a molecular weight of 301.83 g/mol. Its IUPAC name is 6-(3-chloro-2-fluorophenoxy)-N-(2-methylpropyl)hexan-1-amine.

Molecular Properties

Compound Name6-(3-chloro-2-fluorophenoxy)-N-(2-methylpropyl)hexan-1-amine
PubChem CID116690384
Molecular FormulaC16H25ClFNO
Molecular Weight301.83 g/mol
Exact Mass301.16
IUPAC Name6-(3-chloro-2-fluorophenoxy)-N-(2-methylpropyl)hexan-1-amine
SMILESCC(C)CNCCCCCCOc1cccc(Cl)c1F
InChIInChI=1S/C16H25ClFNO/c1-13(2)12-19-10-5-3-4-6-11-20-15-9-7-8-14(17)16(15)18/h7-9,13,19H,3-6,10-12H2,1-2H3
InChIKeyDZULBOCNAGHLHP-UHFFFAOYSA-N
XLogP4.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.83
LogP ≤ 54.66
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-(3-chloro-2-fluorophenoxy)-N-methylpentan-1-amine
CID 116690269
4-(3-chloro-2-fluorophenyl)-N-(2-methylpropyl)butan-1-amine
CID 114489002
3-(3-chloro-2-fluorophenoxy)-N-methylpropan-1-amine
CID 116689634
1-chloro-3-(4-chlorobutoxy)-2-fluorobenzene
CID 116688904
4-(2,5-dichlorophenoxy)-N-(2-methylpropyl)butan-1-amine
CID 55077833
4-(2,6-dimethoxyphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 62449812
N-[2-(3-chloro-2-fluorophenoxy)ethyl]-2-methoxyethanamine
CID 116690537
N-[4-(3-chloro-2-fluorophenoxy)butyl]cyclopropanamine
CID 116690398
N-(2-methylpropyl)-5-(2-prop-1-enylphenoxy)pentan-1-amine
CID 76997566
1-chloro-2-fluoro-3-propoxybenzene
CID 125116301
N-[2-(3-chloro-2-fluorophenoxy)ethyl]heptan-2-amine
CID 116690499
N-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 116689574

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-2-fluorophenoxy)-N-(2-methylpropyl)hexan-1-amine?
The IUPAC name of 6-(3-chloro-2-fluorophenoxy)-N-(2-methylpropyl)hexan-1-amine (CID 116690384) is 6-(3-chloro-2-fluorophenoxy)-N-(2-methylpropyl)hexan-1-amine.
What is the SMILES notation for 6-(3-chloro-2-fluorophenoxy)-N-(2-methylpropyl)hexan-1-amine?
The canonical SMILES for 6-(3-chloro-2-fluorophenoxy)-N-(2-methylpropyl)hexan-1-amine is CC(C)CNCCCCCCOc1cccc(Cl)c1F.
What is the InChIKey of 6-(3-chloro-2-fluorophenoxy)-N-(2-methylpropyl)hexan-1-amine?
The InChIKey is DZULBOCNAGHLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClFNO/c1-13(2)12-19-10-5-3-4-6-11-20-15-9-7-8-14(17)16(15)18/h7-9,13,19H,3-6,10-12H2,1-2H3.
What are the key properties of 6-(3-chloro-2-fluorophenoxy)-N-(2-methylpropyl)hexan-1-amine?
6-(3-chloro-2-fluorophenoxy)-N-(2-methylpropyl)hexan-1-amine has a molecular weight of 301.83 g/mol, XLogP of 4.66, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-2-fluorophenoxy)-N-(2-methylpropyl)hexan-1-amine is sourced from PubChem (CID 116690384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).