1-(3-bromo-2,6-difluorophenyl)-3-(cyclohexen-1-yl)-N-methylpropan-2-amine

C16H20BrF2N — CID 106268466

IUPAC1-(3-bromo-2,6-difluorophenyl)-3-(cyclohexen-1-yl)-N-methylpropan-2-amine
SMILESCNC(CC1=CCCCC1)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C16H20BrF2N/c1-20-12(9-11-5-3-2-4-6-11)10-13-15(18)8-7-14(17)16(13)19/h5,7-8,12,20H,2-4,6,9-10H2,1H3
InChIKeyRZBHYDNBIKFODD-UHFFFAOYSA-N
MW344.24 g/mol
LogP4.75
Rot. Bonds5

About 1-(3-bromo-2,6-difluorophenyl)-3-(cyclohexen-1-yl)-N-methylpropan-2-amine

1-(3-bromo-2,6-difluorophenyl)-3-(cyclohexen-1-yl)-N-methylpropan-2-amine (PubChem CID 106268466) has the molecular formula C16H20BrF2N and a molecular weight of 344.24 g/mol. Its IUPAC name is 1-(3-bromo-2,6-difluorophenyl)-3-(cyclohexen-1-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-2,6-difluorophenyl)-3-(cyclohexen-1-yl)-N-methylpropan-2-amine
PubChem CID106268466
Molecular FormulaC16H20BrF2N
Molecular Weight344.24 g/mol
Exact Mass343.07
IUPAC Name1-(3-bromo-2,6-difluorophenyl)-3-(cyclohexen-1-yl)-N-methylpropan-2-amine
SMILESCNC(CC1=CCCCC1)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C16H20BrF2N/c1-20-12(9-11-5-3-2-4-6-11)10-13-15(18)8-7-14(17)16(13)19/h5,7-8,12,20H,2-4,6,9-10H2,1H3
InChIKeyRZBHYDNBIKFODD-UHFFFAOYSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chloro-2-fluorophenyl)-3-(cyclohexen-1-yl)-N-methylpropan-2-amine
CID 103049107
1-(3-bromo-2,6-difluorophenyl)-3-methoxy-N-methylpropan-2-amine
CID 106267048
1-(3-bromo-2,6-difluorophenyl)-N-methylhexan-2-amine
CID 114166237
1-(3-bromo-2,6-difluorophenyl)-4-(2,2-difluoroethoxy)-N-methylbutan-2-amine
CID 106268855
1-(3-bromo-2,6-difluorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine
CID 106274149
1-(3-bromo-4-fluorophenyl)-3-(cyclohexen-1-yl)-N-propylpropan-2-amine
CID 116662032
2-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine
CID 106274248
1-(cyclohexen-1-yl)-N-methyl-3-(3-methylphenyl)propan-2-amine
CID 116661499
1-(5-bromo-2-methoxyphenyl)-3-(cyclohexen-1-yl)-N-methylpropan-2-amine
CID 116661454
1-(3-bromo-2,6-difluorophenyl)-5-ethoxy-N-methylpentan-2-amine
CID 106273617
1-[2-(3-bromo-2,6-difluorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 106267919
2-(cyclohexen-1-yl)-1-(2,3-difluorophenyl)-N-methylethanamine
CID 116661577

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-3-(cyclohexen-1-yl)-N-methylpropan-2-amine?
The IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-3-(cyclohexen-1-yl)-N-methylpropan-2-amine (CID 106268466) is 1-(3-bromo-2,6-difluorophenyl)-3-(cyclohexen-1-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(3-bromo-2,6-difluorophenyl)-3-(cyclohexen-1-yl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(3-bromo-2,6-difluorophenyl)-3-(cyclohexen-1-yl)-N-methylpropan-2-amine is CNC(CC1=CCCCC1)Cc1c(F)ccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2,6-difluorophenyl)-3-(cyclohexen-1-yl)-N-methylpropan-2-amine?
The InChIKey is RZBHYDNBIKFODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrF2N/c1-20-12(9-11-5-3-2-4-6-11)10-13-15(18)8-7-14(17)16(13)19/h5,7-8,12,20H,2-4,6,9-10H2,1H3.
What are the key properties of 1-(3-bromo-2,6-difluorophenyl)-3-(cyclohexen-1-yl)-N-methylpropan-2-amine?
1-(3-bromo-2,6-difluorophenyl)-3-(cyclohexen-1-yl)-N-methylpropan-2-amine has a molecular weight of 344.24 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,6-difluorophenyl)-3-(cyclohexen-1-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 106268466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).