N-[1-(3-bromothiophen-2-yl)ethyl]-4-methylpentan-2-amine

C12H20BrNS — CID 43775777

IUPACN-[1-(3-bromothiophen-2-yl)ethyl]-4-methylpentan-2-amine
SMILESCC(C)CC(C)NC(C)c1sccc1Br
InChIInChI=1S/C12H20BrNS/c1-8(2)7-9(3)14-10(4)12-11(13)5-6-15-12/h5-6,8-10,14H,7H2,1-4H3
InChIKeyDKCRBDYPHYKQDJ-UHFFFAOYSA-N
MW290.27 g/mol
LogP4.60
Rot. Bonds5

About N-[1-(3-bromothiophen-2-yl)ethyl]-4-methylpentan-2-amine

N-[1-(3-bromothiophen-2-yl)ethyl]-4-methylpentan-2-amine (PubChem CID 43775777) has the molecular formula C12H20BrNS and a molecular weight of 290.27 g/mol. Its IUPAC name is N-[1-(3-bromothiophen-2-yl)ethyl]-4-methylpentan-2-amine.

Molecular Properties

Compound NameN-[1-(3-bromothiophen-2-yl)ethyl]-4-methylpentan-2-amine
PubChem CID43775777
Molecular FormulaC12H20BrNS
Molecular Weight290.27 g/mol
Exact Mass289.05
IUPAC NameN-[1-(3-bromothiophen-2-yl)ethyl]-4-methylpentan-2-amine
SMILESCC(C)CC(C)NC(C)c1sccc1Br
InChIInChI=1S/C12H20BrNS/c1-8(2)7-9(3)14-10(4)12-11(13)5-6-15-12/h5-6,8-10,14H,7H2,1-4H3
InChIKeyDKCRBDYPHYKQDJ-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-bromothiophen-2-yl)ethyl]-4-methylsulfanylbutan-2-amine
CID 115721977
2-[1-(3-bromothiophen-2-yl)ethylamino]butan-1-ol
CID 43771158
N-[1-(3-bromothiophen-2-yl)ethyl]-1-morpholin-4-ylpropan-2-amine
CID 43779525
(1S)-1-(2-bromophenyl)-N-[1-(3-bromothiophen-2-yl)ethyl]ethanamine
CID 81383637
N-[1-(3-bromothiophen-2-yl)ethyl]-1-(4-methylphenyl)ethanamine
CID 54863047
3-[1-[1-(3-bromothiophen-2-yl)ethylamino]ethyl]phenol
CID 43791633
ethyl 2-[1-(3-bromothiophen-2-yl)ethylamino]propanoate
CID 61498304
(1R)-N-[1-(3-bromothiophen-2-yl)ethyl]-1-cyclopentylethanamine
CID 81394247
2-[1-(3-bromothiophen-2-yl)ethylamino]-3-methylbutanamide
CID 106344151
N-[1-(3-bromothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)ethanamine
CID 43766775
N-[1-(3-bromothiophen-2-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 43787401
(1R)-N-[1-(3-bromothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)ethanamine
CID 81397385

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromothiophen-2-yl)ethyl]-4-methylpentan-2-amine?
The IUPAC name of N-[1-(3-bromothiophen-2-yl)ethyl]-4-methylpentan-2-amine (CID 43775777) is N-[1-(3-bromothiophen-2-yl)ethyl]-4-methylpentan-2-amine.
What is the SMILES notation for N-[1-(3-bromothiophen-2-yl)ethyl]-4-methylpentan-2-amine?
The canonical SMILES for N-[1-(3-bromothiophen-2-yl)ethyl]-4-methylpentan-2-amine is CC(C)CC(C)NC(C)c1sccc1Br.
What is the InChIKey of N-[1-(3-bromothiophen-2-yl)ethyl]-4-methylpentan-2-amine?
The InChIKey is DKCRBDYPHYKQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrNS/c1-8(2)7-9(3)14-10(4)12-11(13)5-6-15-12/h5-6,8-10,14H,7H2,1-4H3.
What are the key properties of N-[1-(3-bromothiophen-2-yl)ethyl]-4-methylpentan-2-amine?
N-[1-(3-bromothiophen-2-yl)ethyl]-4-methylpentan-2-amine has a molecular weight of 290.27 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromothiophen-2-yl)ethyl]-4-methylpentan-2-amine is sourced from PubChem (CID 43775777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).