2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine

C14H18BrF2NO — CID 106268475

IUPAC2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine
SMILESCNC(Cc1c(F)ccc(Br)c1F)C1(OC)CCC1
InChIInChI=1S/C14H18BrF2NO/c1-18-12(14(19-2)6-3-7-14)8-9-11(16)5-4-10(15)13(9)17/h4-5,12,18H,3,6-8H2,1-2H3
InChIKeyLTHPFZVMKVSRMW-UHFFFAOYSA-N
MW334.20 g/mol
LogP3.43
Rot. Bonds5

About 2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine

2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine (PubChem CID 106268475) has the molecular formula C14H18BrF2NO and a molecular weight of 334.20 g/mol. Its IUPAC name is 2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine
PubChem CID106268475
Molecular FormulaC14H18BrF2NO
Molecular Weight334.20 g/mol
Exact Mass333.05
IUPAC Name2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine
SMILESCNC(Cc1c(F)ccc(Br)c1F)C1(OC)CCC1
InChIInChI=1S/C14H18BrF2NO/c1-18-12(14(19-2)6-3-7-14)8-9-11(16)5-4-10(15)13(9)17/h4-5,12,18H,3,6-8H2,1-2H3
InChIKeyLTHPFZVMKVSRMW-UHFFFAOYSA-N
XLogP3.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.20
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclohexyl)ethyl]hydrazine
CID 106271227
2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclobutyl)ethanamine
CID 106268473
2-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine
CID 106274248
1-[2-(3-bromo-2,6-difluorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 106267919
2-(2-bromophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine
CID 116714359
2-(2-fluorophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine
CID 116714161
3-(3-bromo-2,6-difluorophenyl)-1,1-dimethoxy-N-methylpropan-2-amine
CID 106268006
2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
CID 106268671
2-(2-bromo-3-fluorophenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine
CID 116762886
2-(2-bromo-4-fluorophenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine
CID 116762866
[2-(3-bromo-2,6-difluorophenyl)-1-(2-methylthiolan-2-yl)ethyl]hydrazine
CID 106271374
1-(3-bromo-2,6-difluorophenyl)-3-methoxy-N-methylpropan-2-amine
CID 106267048

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine?
The IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine (CID 106268475) is 2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine?
The canonical SMILES for 2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine is CNC(Cc1c(F)ccc(Br)c1F)C1(OC)CCC1.
What is the InChIKey of 2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine?
The InChIKey is LTHPFZVMKVSRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrF2NO/c1-18-12(14(19-2)6-3-7-14)8-9-11(16)5-4-10(15)13(9)17/h4-5,12,18H,3,6-8H2,1-2H3.
What are the key properties of 2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine?
2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine has a molecular weight of 334.20 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine is sourced from PubChem (CID 106268475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).