N-[(5-bromothiophen-2-yl)-(5-methyloxolan-2-yl)methyl]ethanamine

C12H18BrNOS — CID 81331178

IUPACN-[(5-bromothiophen-2-yl)-(5-methyloxolan-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)s1)C1CCC(C)O1
InChIInChI=1S/C12H18BrNOS/c1-3-14-12(9-5-4-8(2)15-9)10-6-7-11(13)16-10/h6-9,12,14H,3-5H2,1-2H3
InChIKeyQCMHCMWHPVJOJD-UHFFFAOYSA-N
MW304.25 g/mol
LogP3.73
Rot. Bonds4

About N-[(5-bromothiophen-2-yl)-(5-methyloxolan-2-yl)methyl]ethanamine

N-[(5-bromothiophen-2-yl)-(5-methyloxolan-2-yl)methyl]ethanamine (PubChem CID 81331178) has the molecular formula C12H18BrNOS and a molecular weight of 304.25 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)-(5-methyloxolan-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)-(5-methyloxolan-2-yl)methyl]ethanamine
PubChem CID81331178
Molecular FormulaC12H18BrNOS
Molecular Weight304.25 g/mol
Exact Mass303.03
IUPAC NameN-[(5-bromothiophen-2-yl)-(5-methyloxolan-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)s1)C1CCC(C)O1
InChIInChI=1S/C12H18BrNOS/c1-3-14-12(9-5-4-8(2)15-9)10-6-7-11(13)16-10/h6-9,12,14H,3-5H2,1-2H3
InChIKeyQCMHCMWHPVJOJD-UHFFFAOYSA-N
XLogP3.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromothiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
CID 65156595
N-[(5-methyloxolan-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 106785658
N-[(4,5-dibromothiophen-2-yl)-(5-methyloxolan-2-yl)methyl]propan-1-amine
CID 81330145
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
N-[(5-bromothiophen-2-yl)-cyclopentylmethyl]propan-1-amine
CID 61104757
N-[(5-bromothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]ethanamine
CID 107126528
N-[(2-ethylpyrazol-3-yl)-(5-methyloxolan-2-yl)methyl]ethanamine
CID 115858055
N-[[4-(2-methoxyethyl)phenyl]-(5-methyloxolan-2-yl)methyl]ethanamine
CID 81330130
N-[(5-methyloxolan-2-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 82836960
N-[(4-methoxy-2-methylphenyl)-(5-methyloxolan-2-yl)methyl]ethanamine
CID 81330427
N-[(5-methyloxolan-2-yl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 105050748

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)-(5-methyloxolan-2-yl)methyl]ethanamine?
The IUPAC name of N-[(5-bromothiophen-2-yl)-(5-methyloxolan-2-yl)methyl]ethanamine (CID 81331178) is N-[(5-bromothiophen-2-yl)-(5-methyloxolan-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)-(5-methyloxolan-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)-(5-methyloxolan-2-yl)methyl]ethanamine is CCNC(c1ccc(Br)s1)C1CCC(C)O1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)-(5-methyloxolan-2-yl)methyl]ethanamine?
The InChIKey is QCMHCMWHPVJOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNOS/c1-3-14-12(9-5-4-8(2)15-9)10-6-7-11(13)16-10/h6-9,12,14H,3-5H2,1-2H3.
What are the key properties of N-[(5-bromothiophen-2-yl)-(5-methyloxolan-2-yl)methyl]ethanamine?
N-[(5-bromothiophen-2-yl)-(5-methyloxolan-2-yl)methyl]ethanamine has a molecular weight of 304.25 g/mol, XLogP of 3.73, 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)-(5-methyloxolan-2-yl)methyl]ethanamine is sourced from PubChem (CID 81331178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).