6-(4-bromo-3-fluorophenoxy)-N-methylhexan-1-amine

C13H19BrFNO — CID 65201441

IUPAC6-(4-bromo-3-fluorophenoxy)-N-methylhexan-1-amine
SMILESCNCCCCCCOc1ccc(Br)c(F)c1
InChIInChI=1S/C13H19BrFNO/c1-16-8-4-2-3-5-9-17-11-6-7-12(14)13(15)10-11/h6-7,10,16H,2-5,8-9H2,1H3
InChIKeyMEWSGGNFZFWHFF-UHFFFAOYSA-N
MW304.20 g/mol
LogP3.75
Rot. Bonds8

About 6-(4-bromo-3-fluorophenoxy)-N-methylhexan-1-amine

6-(4-bromo-3-fluorophenoxy)-N-methylhexan-1-amine (PubChem CID 65201441) has the molecular formula C13H19BrFNO and a molecular weight of 304.20 g/mol. Its IUPAC name is 6-(4-bromo-3-fluorophenoxy)-N-methylhexan-1-amine.

Molecular Properties

Compound Name6-(4-bromo-3-fluorophenoxy)-N-methylhexan-1-amine
PubChem CID65201441
Molecular FormulaC13H19BrFNO
Molecular Weight304.20 g/mol
Exact Mass303.06
IUPAC Name6-(4-bromo-3-fluorophenoxy)-N-methylhexan-1-amine
SMILESCNCCCCCCOc1ccc(Br)c(F)c1
InChIInChI=1S/C13H19BrFNO/c1-16-8-4-2-3-5-9-17-11-6-7-12(14)13(15)10-11/h6-7,10,16H,2-5,8-9H2,1H3
InChIKeyMEWSGGNFZFWHFF-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.20
LogP ≤ 53.75
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

4-(3-bromo-4-fluorophenoxy)-N-methylbutan-1-amine
CID 83234496
1-bromo-2-fluoro-4-tetradecoxybenzene
CID 23354727
4-(4-bromo-3-fluorophenoxy)-N-(2-methoxyethyl)butan-1-amine
CID 65201584
N-[6-(4-bromo-3-fluorophenoxy)hexyl]cyclopropanamine
CID 65201532
6-[4-[2-(4-bromophenyl)ethyl]-3-fluorophenoxy]-N-methylhexan-1-amine
CID 138741074
1,9-bis(4-bromo-3-fluorophenoxy)nonan-5-one
CID 122542604
6-(6-bromonaphthalen-2-yl)oxy-N-methylhexan-1-amine
CID 10133896
5-(4-bromo-3-fluorophenoxy)pentane-1-sulfonamide
CID 65202502
6-[4-[(S)-(4-bromophenyl)-(methylamino)methyl]-3-fluorophenoxy]-N-methylhexan-1-amine
CID 138741073
6-(6-bromonaphthalen-2-yl)oxy-N-methylhexan-1-amine;hydrochloride
CID 10133895
6-(3-bromo-5-fluorophenoxy)-N-methylhexan-1-amine
CID 81325393
6-[4-(6-bromo-1H-indazol-3-yl)-3-fluorophenoxy]-N-methylhexan-1-amine
CID 138734236

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-3-fluorophenoxy)-N-methylhexan-1-amine?
The IUPAC name of 6-(4-bromo-3-fluorophenoxy)-N-methylhexan-1-amine (CID 65201441) is 6-(4-bromo-3-fluorophenoxy)-N-methylhexan-1-amine.
What is the SMILES notation for 6-(4-bromo-3-fluorophenoxy)-N-methylhexan-1-amine?
The canonical SMILES for 6-(4-bromo-3-fluorophenoxy)-N-methylhexan-1-amine is CNCCCCCCOc1ccc(Br)c(F)c1.
What is the InChIKey of 6-(4-bromo-3-fluorophenoxy)-N-methylhexan-1-amine?
The InChIKey is MEWSGGNFZFWHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFNO/c1-16-8-4-2-3-5-9-17-11-6-7-12(14)13(15)10-11/h6-7,10,16H,2-5,8-9H2,1H3.
What are the key properties of 6-(4-bromo-3-fluorophenoxy)-N-methylhexan-1-amine?
6-(4-bromo-3-fluorophenoxy)-N-methylhexan-1-amine has a molecular weight of 304.20 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-3-fluorophenoxy)-N-methylhexan-1-amine is sourced from PubChem (CID 65201441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).