N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromothiophen-3-yl)ethyl]propan-1-amine

C16H24BrNS — CID 105010796

IUPACN-[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromothiophen-3-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CC2CCC1C2)c1cscc1Br
InChIInChI=1S/C16H24BrNS/c1-2-5-18-16(14-9-19-10-15(14)17)8-13-7-11-3-4-12(13)6-11/h9-13,16,18H,2-8H2,1H3
InChIKeyFHIIEWDZFROJLR-UHFFFAOYSA-N
MW342.35 g/mol
LogP5.38
Rot. Bonds6

About N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromothiophen-3-yl)ethyl]propan-1-amine

N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromothiophen-3-yl)ethyl]propan-1-amine (PubChem CID 105010796) has the molecular formula C16H24BrNS and a molecular weight of 342.35 g/mol. Its IUPAC name is N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromothiophen-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromothiophen-3-yl)ethyl]propan-1-amine
PubChem CID105010796
Molecular FormulaC16H24BrNS
Molecular Weight342.35 g/mol
Exact Mass341.08
IUPAC NameN-[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromothiophen-3-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CC2CCC1C2)c1cscc1Br
InChIInChI=1S/C16H24BrNS/c1-2-5-18-16(14-9-19-10-15(14)17)8-13-7-11-3-4-12(13)6-11/h9-13,16,18H,2-8H2,1H3
InChIKeyFHIIEWDZFROJLR-UHFFFAOYSA-N
XLogP5.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.35
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromothiophen-3-yl)ethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromo-3-chlorophenyl)ethyl]propan-1-amine
CID 105012937
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-methylphenyl)ethyl]propan-1-amine
CID 43495146
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(3-chloro-2-methylphenyl)ethyl]propan-1-amine
CID 107102792
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethylphenyl)ethyl]propan-1-amine
CID 43496619
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(furan-3-yl)ethyl]propan-1-amine
CID 79562074
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 55197409
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(3-iodophenyl)ethyl]propan-1-amine
CID 105012704
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(5-chloro-4-methylthiophen-2-yl)ethyl]propan-1-amine
CID 102764234
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(2,4,5-trimethylfuran-3-yl)ethyl]propan-1-amine
CID 105012922
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-bromo-5-methoxyphenyl)-N-ethylethanamine
CID 105167818
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 115816163
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(6-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 79562678

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromothiophen-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromothiophen-3-yl)ethyl]propan-1-amine (CID 105010796) is N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromothiophen-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromothiophen-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromothiophen-3-yl)ethyl]propan-1-amine is CCCNC(CC1CC2CCC1C2)c1cscc1Br.
What is the InChIKey of N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromothiophen-3-yl)ethyl]propan-1-amine?
The InChIKey is FHIIEWDZFROJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNS/c1-2-5-18-16(14-9-19-10-15(14)17)8-13-7-11-3-4-12(13)6-11/h9-13,16,18H,2-8H2,1H3.
What are the key properties of N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromothiophen-3-yl)ethyl]propan-1-amine?
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromothiophen-3-yl)ethyl]propan-1-amine has a molecular weight of 342.35 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromothiophen-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105010796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).