6-(4-chlorophenoxy)hexan-1-amine

C12H18ClNO — CID 18365475

IUPAC6-(4-chlorophenoxy)hexan-1-amine
SMILESNCCCCCCOc1ccc(Cl)cc1
InChIInChI=1S/C12H18ClNO/c13-11-5-7-12(8-6-11)15-10-4-2-1-3-9-14/h5-8H,1-4,9-10,14H2
InChIKeyLTUFMALBFAADRT-UHFFFAOYSA-N
MW227.74 g/mol
LogP3.24
Rot. Bonds7

About 6-(4-chlorophenoxy)hexan-1-amine

6-(4-chlorophenoxy)hexan-1-amine (PubChem CID 18365475) has the molecular formula C12H18ClNO and a molecular weight of 227.74 g/mol. Its IUPAC name is 6-(4-chlorophenoxy)hexan-1-amine.

Molecular Properties

Compound Name6-(4-chlorophenoxy)hexan-1-amine
PubChem CID18365475
Molecular FormulaC12H18ClNO
Molecular Weight227.74 g/mol
Exact Mass227.11
IUPAC Name6-(4-chlorophenoxy)hexan-1-amine
SMILESNCCCCCCOc1ccc(Cl)cc1
InChIInChI=1S/C12H18ClNO/c13-11-5-7-12(8-6-11)15-10-4-2-1-3-9-14/h5-8H,1-4,9-10,14H2
InChIKeyLTUFMALBFAADRT-UHFFFAOYSA-N
XLogP3.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 53.24
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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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenoxy)hexan-1-amine?
The IUPAC name of 6-(4-chlorophenoxy)hexan-1-amine (CID 18365475) is 6-(4-chlorophenoxy)hexan-1-amine.
What is the SMILES notation for 6-(4-chlorophenoxy)hexan-1-amine?
The canonical SMILES for 6-(4-chlorophenoxy)hexan-1-amine is NCCCCCCOc1ccc(Cl)cc1.
What is the InChIKey of 6-(4-chlorophenoxy)hexan-1-amine?
The InChIKey is LTUFMALBFAADRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c13-11-5-7-12(8-6-11)15-10-4-2-1-3-9-14/h5-8H,1-4,9-10,14H2.
What are the key properties of 6-(4-chlorophenoxy)hexan-1-amine?
6-(4-chlorophenoxy)hexan-1-amine has a molecular weight of 227.74 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenoxy)hexan-1-amine is sourced from PubChem (CID 18365475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).