N-[(5-bromothiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine

C14H22BrNOS — CID 65156595

IUPACN-[(5-bromothiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)s1)C1C(C)OC(C)C1C
InChIInChI=1S/C14H22BrNOS/c1-5-16-14(11-6-7-12(15)18-11)13-8(2)9(3)17-10(13)4/h6-10,13-14,16H,5H2,1-4H3
InChIKeyACUPTNABWUOJPS-UHFFFAOYSA-N
MW332.31 g/mol
LogP4.22
Rot. Bonds4

About N-[(5-bromothiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine

N-[(5-bromothiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine (PubChem CID 65156595) has the molecular formula C14H22BrNOS and a molecular weight of 332.31 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
PubChem CID65156595
Molecular FormulaC14H22BrNOS
Molecular Weight332.31 g/mol
Exact Mass331.06
IUPAC NameN-[(5-bromothiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)s1)C1C(C)OC(C)C1C
InChIInChI=1S/C14H22BrNOS/c1-5-16-14(11-6-7-12(15)18-11)13-8(2)9(3)17-10(13)4/h6-10,13-14,16H,5H2,1-4H3
InChIKeyACUPTNABWUOJPS-UHFFFAOYSA-N
XLogP4.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromothiophen-2-yl)-(5-methyloxolan-2-yl)methyl]ethanamine
CID 81331178
[2-(5-bromothiophen-2-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethyl]hydrazine
CID 105295808
N-[(3-bromothiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine
CID 80536036
N-[(4-bromo-1-methylpyrazol-5-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
CID 105054339
N-[pyridin-3-yl-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
CID 115799740
N-[(5-bromothiophen-2-yl)-(4-butylcyclohexyl)methyl]ethanamine
CID 63501873
N-[(5-bromothiophen-2-yl)-(1,1-dioxothiolan-3-yl)methyl]ethanamine
CID 64905985
1-(5-bromo-4-chlorothiophen-2-yl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 80530880
N-[(5-bromothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine
CID 107126528
1-(5-bromothiophen-2-yl)-N-ethylbutan-1-amine
CID 61101878
2-(3-bromophenyl)-N-ethyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
CID 65155889
1-(5-bromothiophen-2-yl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 62678969

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine?
The IUPAC name of N-[(5-bromothiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine (CID 65156595) is N-[(5-bromothiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine is CCNC(c1ccc(Br)s1)C1C(C)OC(C)C1C.
What is the InChIKey of N-[(5-bromothiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine?
The InChIKey is ACUPTNABWUOJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNOS/c1-5-16-14(11-6-7-12(15)18-11)13-8(2)9(3)17-10(13)4/h6-10,13-14,16H,5H2,1-4H3.
What are the key properties of N-[(5-bromothiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine?
N-[(5-bromothiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine has a molecular weight of 332.31 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine is sourced from PubChem (CID 65156595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).