2-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine

C15H20BrF2N — CID 106274248

IUPAC2-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine
SMILESCNC(Cc1c(F)ccc(Br)c1F)C1(C)CCCC1
InChIInChI=1S/C15H20BrF2N/c1-15(7-3-4-8-15)13(19-2)9-10-12(17)6-5-11(16)14(10)18/h5-6,13,19H,3-4,7-9H2,1-2H3
InChIKeyUZYRVEYNVDEKJO-UHFFFAOYSA-N
MW332.23 g/mol
LogP4.44
Rot. Bonds4

About 2-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine

2-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine (PubChem CID 106274248) has the molecular formula C15H20BrF2N and a molecular weight of 332.23 g/mol. Its IUPAC name is 2-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine
PubChem CID106274248
Molecular FormulaC15H20BrF2N
Molecular Weight332.23 g/mol
Exact Mass331.07
IUPAC Name2-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine
SMILESCNC(Cc1c(F)ccc(Br)c1F)C1(C)CCCC1
InChIInChI=1S/C15H20BrF2N/c1-15(7-3-4-8-15)13(19-2)9-10-12(17)6-5-11(16)14(10)18/h5-6,13,19H,3-4,7-9H2,1-2H3
InChIKeyUZYRVEYNVDEKJO-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3-bromo-2,6-difluorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 106267919
2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine
CID 106268475
2-(2-bromo-5-fluorophenyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine
CID 115843879
[2-(3-bromo-2,6-difluorophenyl)-1-(2-methylthiolan-2-yl)ethyl]hydrazine
CID 106271374
[2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxycyclohexyl)ethyl]hydrazine
CID 106271227
1-(3-bromo-2,6-difluorophenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 114165676
3-(3-bromo-2,6-difluorophenyl)-1,1-dimethoxy-N-methylpropan-2-amine
CID 106268006
1-(3-bromo-2,6-difluorophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 114165735
1-(3-bromo-2,6-difluorophenyl)-3-methoxy-N-methylpropan-2-amine
CID 106267048
1-(3-bromo-2,6-difluorophenyl)-3-(cyclohexen-1-yl)-N-methylpropan-2-amine
CID 106268466
1-(3-bromo-2,6-difluorophenyl)-N-methylhexan-2-amine
CID 114166237
[(3-bromo-2,6-difluorophenyl)-(1-methylcyclopentyl)methyl]hydrazine
CID 106945625

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine?
The IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine (CID 106274248) is 2-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine.
What is the SMILES notation for 2-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine?
The canonical SMILES for 2-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine is CNC(Cc1c(F)ccc(Br)c1F)C1(C)CCCC1.
What is the InChIKey of 2-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine?
The InChIKey is UZYRVEYNVDEKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrF2N/c1-15(7-3-4-8-15)13(19-2)9-10-12(17)6-5-11(16)14(10)18/h5-6,13,19H,3-4,7-9H2,1-2H3.
What are the key properties of 2-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine?
2-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine has a molecular weight of 332.23 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine is sourced from PubChem (CID 106274248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).