1-(4-bromothiophen-2-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine;hydrochloride

C11H17BrClNS — CID 115680308

IUPAC1-(4-bromothiophen-2-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine;hydrochloride
SMILESCCC1(CNCc2cc(Br)cs2)CC1.Cl
InChIInChI=1S/C11H16BrNS.ClH/c1-2-11(3-4-11)8-13-6-10-5-9(12)7-14-10;/h5,7,13H,2-4,6,8H2,1H3;1H
InChIKeyAPKYTDJQHPDYKT-UHFFFAOYSA-N
MW310.69 g/mol
LogP4.21
Rot. Bonds5

About 1-(4-bromothiophen-2-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine;hydrochloride

1-(4-bromothiophen-2-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine;hydrochloride (PubChem CID 115680308) has the molecular formula C11H17BrClNS and a molecular weight of 310.69 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine;hydrochloride.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine;hydrochloride
PubChem CID115680308
Molecular FormulaC11H17BrClNS
Molecular Weight310.69 g/mol
Exact Mass309.00
IUPAC Name1-(4-bromothiophen-2-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine;hydrochloride
SMILESCCC1(CNCc2cc(Br)cs2)CC1.Cl
InChIInChI=1S/C11H16BrNS.ClH/c1-2-11(3-4-11)8-13-6-10-5-9(12)7-14-10;/h5,7,13H,2-4,6,8H2,1H3;1H
InChIKeyAPKYTDJQHPDYKT-UHFFFAOYSA-N
XLogP4.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.69
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-2-(4,4-diethylpiperidin-1-yl)ethanamine
CID 63503634
5-[[(1-ethylcyclopentyl)methylamino]methyl]thiophene-3-carboxamide
CID 103802126
4-[[(4-bromothiophen-2-yl)methylamino]methyl]oxan-4-ol
CID 78928753
1-[(4-bromothiophen-2-yl)methylamino]-3-ethylpentan-2-ol
CID 115621916
1-(3-bromophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 103735508
N-[(1-ethylcyclopropyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)methanamine;hydrochloride
CID 115680327
[1-[(4-bromothiophen-2-yl)methyl]cyclopropyl]methanamine
CID 66025971
N-[(1-ethylcyclopentyl)methyl]-1-(1,3-thiazol-5-yl)methanamine
CID 115732815
1-(5-bromo-2-pyridinyl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 103735445
N-[(1-ethylcyclopropyl)methyl]-1-(2-ethyl-1,3-thiazol-4-yl)methanamine
CID 103735496
N-[(4-bromothiophen-2-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 78966671
5-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]thiophene-3-carboxylic acid
CID 114756041

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine;hydrochloride?
The IUPAC name of 1-(4-bromothiophen-2-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine;hydrochloride (CID 115680308) is 1-(4-bromothiophen-2-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine;hydrochloride.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine;hydrochloride?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine;hydrochloride is CCC1(CNCc2cc(Br)cs2)CC1.Cl.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine;hydrochloride?
The InChIKey is APKYTDJQHPDYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNS.ClH/c1-2-11(3-4-11)8-13-6-10-5-9(12)7-14-10;/h5,7,13H,2-4,6,8H2,1H3;1H.
What are the key properties of 1-(4-bromothiophen-2-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine;hydrochloride?
1-(4-bromothiophen-2-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine;hydrochloride has a molecular weight of 310.69 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine;hydrochloride is sourced from PubChem (CID 115680308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).