6-(3-fluorophenoxy)hexan-3-amine

C12H18FNO — CID 106800736

IUPAC6-(3-fluorophenoxy)hexan-3-amine
SMILESCCC(N)CCCOc1cccc(F)c1
InChIInChI=1S/C12H18FNO/c1-2-11(14)6-4-8-15-12-7-3-5-10(13)9-12/h3,5,7,9,11H,2,4,6,8,14H2,1H3
InChIKeyCKCDXJFWZBJFMB-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.72
Rot. Bonds6

About 6-(3-fluorophenoxy)hexan-3-amine

6-(3-fluorophenoxy)hexan-3-amine (PubChem CID 106800736) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 6-(3-fluorophenoxy)hexan-3-amine.

Molecular Properties

Compound Name6-(3-fluorophenoxy)hexan-3-amine
PubChem CID106800736
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name6-(3-fluorophenoxy)hexan-3-amine
SMILESCCC(N)CCCOc1cccc(F)c1
InChIInChI=1S/C12H18FNO/c1-2-11(14)6-4-8-15-12-7-3-5-10(13)9-12/h3,5,7,9,11H,2,4,6,8,14H2,1H3
InChIKeyCKCDXJFWZBJFMB-UHFFFAOYSA-N
XLogP2.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.72
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

6-(3-fluorophenoxy)hexan-3-ol
CID 106802653
6-(3-fluorophenoxy)-N-methylhexan-3-amine
CID 106800734
6-(2,4-difluorophenoxy)hexan-3-amine
CID 106800648
(2S)-2-amino-4-(3-fluorophenoxy)butan-1-ol;hydrochloride
CID 70052639
1-(3-fluorophenyl)-5-phenoxypentan-2-amine
CID 62936292
3-(4-aminoheptoxy)aniline
CID 160803026
2-amino-4-(3-fluorophenoxy)butanenitrile
CID 63028827
(2S)-2-amino-N-[2-(3-fluorophenoxy)ethyl]-N-methylhexanamide
CID 103831526
6-(4-methylphenoxy)hexan-3-amine
CID 106800758
1-(5-bromopentoxy)-3-fluorobenzene
CID 14575315
5-(3-fluorophenoxy)-N-propylpentan-1-amine
CID 62459048
2-amino-4-(3-fluorophenoxy)butanoic acid
CID 63039916

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenoxy)hexan-3-amine?
The IUPAC name of 6-(3-fluorophenoxy)hexan-3-amine (CID 106800736) is 6-(3-fluorophenoxy)hexan-3-amine.
What is the SMILES notation for 6-(3-fluorophenoxy)hexan-3-amine?
The canonical SMILES for 6-(3-fluorophenoxy)hexan-3-amine is CCC(N)CCCOc1cccc(F)c1.
What is the InChIKey of 6-(3-fluorophenoxy)hexan-3-amine?
The InChIKey is CKCDXJFWZBJFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-2-11(14)6-4-8-15-12-7-3-5-10(13)9-12/h3,5,7,9,11H,2,4,6,8,14H2,1H3.
What are the key properties of 6-(3-fluorophenoxy)hexan-3-amine?
6-(3-fluorophenoxy)hexan-3-amine has a molecular weight of 211.28 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenoxy)hexan-3-amine is sourced from PubChem (CID 106800736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).