1-(3-bromo-2,6-difluorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine

C16H18BrF2NS — CID 106274231

IUPAC1-(3-bromo-2,6-difluorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine
SMILESCNC(CCCc1cccs1)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C16H18BrF2NS/c1-20-11(4-2-5-12-6-3-9-21-12)10-13-15(18)8-7-14(17)16(13)19/h3,6-9,11,20H,2,4-5,10H2,1H3
InChIKeyWLPWXOJAQMYDEM-UHFFFAOYSA-N
MW374.29 g/mol
LogP4.94
Rot. Bonds7

About 1-(3-bromo-2,6-difluorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine

1-(3-bromo-2,6-difluorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine (PubChem CID 106274231) has the molecular formula C16H18BrF2NS and a molecular weight of 374.29 g/mol. Its IUPAC name is 1-(3-bromo-2,6-difluorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-2,6-difluorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine
PubChem CID106274231
Molecular FormulaC16H18BrF2NS
Molecular Weight374.29 g/mol
Exact Mass373.03
IUPAC Name1-(3-bromo-2,6-difluorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine
SMILESCNC(CCCc1cccs1)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C16H18BrF2NS/c1-20-11(4-2-5-12-6-3-9-21-12)10-13-15(18)8-7-14(17)16(13)19/h3,6-9,11,20H,2,4-5,10H2,1H3
InChIKeyWLPWXOJAQMYDEM-UHFFFAOYSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.29
LogP ≤ 54.94
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

1-(3-bromo-2,6-difluorophenyl)-N-methylhexan-2-amine
CID 114166237
6-(3-bromo-2,6-difluorophenyl)-N-methylhexan-3-amine
CID 114166902
1-(3-bromo-2,6-difluorophenyl)-5-ethoxy-N-methylpentan-2-amine
CID 106273617
1-(2-chloro-3-fluorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine
CID 105178932
1-(2-fluoro-3-methoxyphenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine
CID 105180648
N-methyl-1-(2-methylphenyl)-5-thiophen-2-ylpentan-2-amine
CID 61065069
1-(3-bromo-2,6-difluorophenyl)-3-methoxy-N-methylpropan-2-amine
CID 106267048
1-(3-bromo-2,6-difluorophenyl)-4-(2,2-difluoroethoxy)-N-methylbutan-2-amine
CID 106268855
N-methyl-1-phenyl-6-thiophen-2-ylhexan-3-amine
CID 105094221
N-[(3-bromo-2,6-difluorophenyl)methyl]-N-(thiophen-2-ylmethyl)ethanamine
CID 106268693
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-5-thiophen-2-ylpentan-2-amine
CID 105159077
1-(3,4-dichlorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine
CID 63527812

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine?
The IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine (CID 106274231) is 1-(3-bromo-2,6-difluorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine.
What is the SMILES notation for 1-(3-bromo-2,6-difluorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine?
The canonical SMILES for 1-(3-bromo-2,6-difluorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine is CNC(CCCc1cccs1)Cc1c(F)ccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2,6-difluorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine?
The InChIKey is WLPWXOJAQMYDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrF2NS/c1-20-11(4-2-5-12-6-3-9-21-12)10-13-15(18)8-7-14(17)16(13)19/h3,6-9,11,20H,2,4-5,10H2,1H3.
What are the key properties of 1-(3-bromo-2,6-difluorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine?
1-(3-bromo-2,6-difluorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine has a molecular weight of 374.29 g/mol, XLogP of 4.94, 7 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)-N-methyl-5-thiophen-2-ylpentan-2-amine is sourced from PubChem (CID 106274231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).