N-[1-(4-bromothiophen-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine

C13H18BrNS — CID 107354397

IUPACN-[1-(4-bromothiophen-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
SMILESCC(NC1CC2CCC1C2)c1cc(Br)cs1
InChIInChI=1S/C13H18BrNS/c1-8(13-6-11(14)7-16-13)15-12-5-9-2-3-10(12)4-9/h6-10,12,15H,2-5H2,1H3
InChIKeyOYTNJFYVBHEJKB-UHFFFAOYSA-N
MW300.27 g/mol
LogP4.35
Rot. Bonds3

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

N-[1-(4-bromothiophen-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 107354397) has the molecular formula C13H18BrNS and a molecular weight of 300.27 g/mol. Its IUPAC name is N-[1-(4-bromothiophen-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-[1-(4-bromothiophen-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID107354397
Molecular FormulaC13H18BrNS
Molecular Weight300.27 g/mol
Exact Mass299.03
IUPAC NameN-[1-(4-bromothiophen-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
SMILESCC(NC1CC2CCC1C2)c1cc(Br)cs1
InChIInChI=1S/C13H18BrNS/c1-8(13-6-11(14)7-16-13)15-12-5-9-2-3-10(12)4-9/h6-10,12,15H,2-5H2,1H3
InChIKeyOYTNJFYVBHEJKB-UHFFFAOYSA-N
XLogP4.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-bromothiophen-2-yl)ethyl]cyclopropanamine
CID 107167098
N-[1-(4-bromothiophen-2-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 107354146
N-[1-(4-bromothiophen-2-yl)ethyl]thian-4-amine
CID 107167565
N-[1-(4-bromothiophen-2-yl)ethyl]oxan-4-amine
CID 107167286
(1S)-1-(4-bromothiophen-2-yl)-N-methylethanamine
CID 95366093
N-[1-(4-fluorophenyl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 61309333
[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine
CID 105222665
N-[1-(4-bromothiophen-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 107167232
N-[1-(4-bromothiophen-2-yl)ethyl]-1-ethylpiperidin-4-amine
CID 107167172
N-[1-(4-bromothiophen-2-yl)ethyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine
CID 107167528
(1S,2S,4S)-N-[(2R)-3-methylbutan-2-yl]bicyclo[2.2.1]heptan-2-amine
CID 124526685
N-[1-(4-bromothiophen-2-yl)ethyl]-1,1-dioxothian-3-amine
CID 107167577

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromothiophen-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-[1-(4-bromothiophen-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine (CID 107354397) is N-[1-(4-bromothiophen-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-[1-(4-bromothiophen-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-[1-(4-bromothiophen-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine is CC(NC1CC2CCC1C2)c1cc(Br)cs1.
What is the InChIKey of N-[1-(4-bromothiophen-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is OYTNJFYVBHEJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNS/c1-8(13-6-11(14)7-16-13)15-12-5-9-2-3-10(12)4-9/h6-10,12,15H,2-5H2,1H3.
What are the key properties of N-[1-(4-bromothiophen-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
N-[1-(4-bromothiophen-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 300.27 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromothiophen-2-yl)ethyl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 107354397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).