1-(3-bromo-2,6-difluorophenyl)-5-ethoxy-N-methylpentan-2-amine

C14H20BrF2NO — CID 106273617

IUPAC1-(3-bromo-2,6-difluorophenyl)-5-ethoxy-N-methylpentan-2-amine
SMILESCCOCCCC(Cc1c(F)ccc(Br)c1F)NC
InChIInChI=1S/C14H20BrF2NO/c1-3-19-8-4-5-10(18-2)9-11-13(16)7-6-12(15)14(11)17/h6-7,10,18H,3-5,8-9H2,1-2H3
InChIKeyXEPLGKJQTHVCFC-UHFFFAOYSA-N
MW336.22 g/mol
LogP3.67
Rot. Bonds8

About 1-(3-bromo-2,6-difluorophenyl)-5-ethoxy-N-methylpentan-2-amine

1-(3-bromo-2,6-difluorophenyl)-5-ethoxy-N-methylpentan-2-amine (PubChem CID 106273617) has the molecular formula C14H20BrF2NO and a molecular weight of 336.22 g/mol. Its IUPAC name is 1-(3-bromo-2,6-difluorophenyl)-5-ethoxy-N-methylpentan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-2,6-difluorophenyl)-5-ethoxy-N-methylpentan-2-amine
PubChem CID106273617
Molecular FormulaC14H20BrF2NO
Molecular Weight336.22 g/mol
Exact Mass335.07
IUPAC Name1-(3-bromo-2,6-difluorophenyl)-5-ethoxy-N-methylpentan-2-amine
SMILESCCOCCCC(Cc1c(F)ccc(Br)c1F)NC
InChIInChI=1S/C14H20BrF2NO/c1-3-19-8-4-5-10(18-2)9-11-13(16)7-6-12(15)14(11)17/h6-7,10,18H,3-5,8-9H2,1-2H3
InChIKeyXEPLGKJQTHVCFC-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.22
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromo-2,6-difluorophenyl)-N-methylhexan-2-amine
CID 114166237
1-(3-bromo-2,6-difluorophenyl)-5-ethoxypentan-2-ol
CID 106274424
1-(3-bromo-2,6-difluorophenyl)-4-(2,2-difluoroethoxy)-N-methylbutan-2-amine
CID 106268855
1-(3-bromo-2,6-difluorophenyl)-3-methoxy-N-methylpropan-2-amine
CID 106267048
1-(2-bromophenyl)-5-ethoxy-N-methylpentan-2-amine
CID 105087467
6-(3-bromo-2,6-difluorophenyl)-N-methylhexan-3-amine
CID 114166902
1-(3-bromo-2,6-difluorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine
CID 106274231
[1-(3-bromo-2,6-difluorophenyl)-5-chloropentan-2-yl]hydrazine
CID 106271023
[1-(3-bromo-2,6-difluorophenyl)-3-propoxypropan-2-yl]hydrazine
CID 106270835
1-(3-bromo-2,6-difluorophenyl)-3-propoxy-N-propylpropan-2-amine
CID 106267109
5-ethoxy-N-methyl-1-phenylpentan-2-amine
CID 105084642
5-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylpentan-2-amine
CID 105188238

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-5-ethoxy-N-methylpentan-2-amine?
The IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-5-ethoxy-N-methylpentan-2-amine (CID 106273617) is 1-(3-bromo-2,6-difluorophenyl)-5-ethoxy-N-methylpentan-2-amine.
What is the SMILES notation for 1-(3-bromo-2,6-difluorophenyl)-5-ethoxy-N-methylpentan-2-amine?
The canonical SMILES for 1-(3-bromo-2,6-difluorophenyl)-5-ethoxy-N-methylpentan-2-amine is CCOCCCC(Cc1c(F)ccc(Br)c1F)NC.
What is the InChIKey of 1-(3-bromo-2,6-difluorophenyl)-5-ethoxy-N-methylpentan-2-amine?
The InChIKey is XEPLGKJQTHVCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrF2NO/c1-3-19-8-4-5-10(18-2)9-11-13(16)7-6-12(15)14(11)17/h6-7,10,18H,3-5,8-9H2,1-2H3.
What are the key properties of 1-(3-bromo-2,6-difluorophenyl)-5-ethoxy-N-methylpentan-2-amine?
1-(3-bromo-2,6-difluorophenyl)-5-ethoxy-N-methylpentan-2-amine has a molecular weight of 336.22 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,6-difluorophenyl)-5-ethoxy-N-methylpentan-2-amine is sourced from PubChem (CID 106273617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).