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

C13H20BrNS — CID 107354387

IUPACN-[1-(4-bromothiophen-2-yl)ethyl]-1-cyclopropylbutan-2-amine
SMILESCCC(CC1CC1)NC(C)c1cc(Br)cs1
InChIInChI=1S/C13H20BrNS/c1-3-12(6-10-4-5-10)15-9(2)13-7-11(14)8-16-13/h7-10,12,15H,3-6H2,1-2H3
InChIKeyWIHOVTPZDUYTOM-UHFFFAOYSA-N
MW302.28 g/mol
LogP4.74
Rot. Bonds6

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

N-[1-(4-bromothiophen-2-yl)ethyl]-1-cyclopropylbutan-2-amine (PubChem CID 107354387) has the molecular formula C13H20BrNS and a molecular weight of 302.28 g/mol. Its IUPAC name is N-[1-(4-bromothiophen-2-yl)ethyl]-1-cyclopropylbutan-2-amine.

Molecular Properties

Compound NameN-[1-(4-bromothiophen-2-yl)ethyl]-1-cyclopropylbutan-2-amine
PubChem CID107354387
Molecular FormulaC13H20BrNS
Molecular Weight302.28 g/mol
Exact Mass301.05
IUPAC NameN-[1-(4-bromothiophen-2-yl)ethyl]-1-cyclopropylbutan-2-amine
SMILESCCC(CC1CC1)NC(C)c1cc(Br)cs1
InChIInChI=1S/C13H20BrNS/c1-3-12(6-10-4-5-10)15-9(2)13-7-11(14)8-16-13/h7-10,12,15H,3-6H2,1-2H3
InChIKeyWIHOVTPZDUYTOM-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[(1R)-1-(4-bromothiophen-2-yl)ethyl]amino]propan-1-ol
CID 124626932
(1S)-1-(4-bromothiophen-2-yl)-N-methylethanamine
CID 95366093
N-[1-(4-bromothiophen-2-yl)ethyl]cyclopropanamine
CID 107167098
3-[1-(4-bromothiophen-2-yl)ethylamino]butan-1-ol
CID 107167468
1-(4-bromothiophen-2-yl)-N-[2-(4-methylcyclohexyl)ethyl]ethanamine
CID 107354393
4-bromo-N-(1-cyclopropylbutan-2-yl)-1,3-thiazol-2-amine
CID 79400384
1-(4-bromothiophen-2-yl)-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine
CID 107354206
1-(4-bromothiophen-2-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
CID 107354247
N-[1-(4-bromothiophen-2-yl)ethyl]-1-ethylpiperidin-4-amine
CID 107167172
1-(4-bromothiophen-2-yl)-N-[(4-bromothiophen-2-yl)methyl]ethanamine
CID 107167279
1-(4-bromothiophen-2-yl)-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine
CID 107355045
N-[1-(4-bromothiophen-2-yl)ethyl]thian-4-amine
CID 107167565

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromothiophen-2-yl)ethyl]-1-cyclopropylbutan-2-amine?
The IUPAC name of N-[1-(4-bromothiophen-2-yl)ethyl]-1-cyclopropylbutan-2-amine (CID 107354387) is N-[1-(4-bromothiophen-2-yl)ethyl]-1-cyclopropylbutan-2-amine.
What is the SMILES notation for N-[1-(4-bromothiophen-2-yl)ethyl]-1-cyclopropylbutan-2-amine?
The canonical SMILES for N-[1-(4-bromothiophen-2-yl)ethyl]-1-cyclopropylbutan-2-amine is CCC(CC1CC1)NC(C)c1cc(Br)cs1.
What is the InChIKey of N-[1-(4-bromothiophen-2-yl)ethyl]-1-cyclopropylbutan-2-amine?
The InChIKey is WIHOVTPZDUYTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNS/c1-3-12(6-10-4-5-10)15-9(2)13-7-11(14)8-16-13/h7-10,12,15H,3-6H2,1-2H3.
What are the key properties of N-[1-(4-bromothiophen-2-yl)ethyl]-1-cyclopropylbutan-2-amine?
N-[1-(4-bromothiophen-2-yl)ethyl]-1-cyclopropylbutan-2-amine has a molecular weight of 302.28 g/mol, XLogP of 4.74, 6 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]-1-cyclopropylbutan-2-amine is sourced from PubChem (CID 107354387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).