1-(4-bromothiophen-2-yl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine

C13H21BrN2OS — CID 62260251

IUPAC1-(4-bromothiophen-2-yl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine
SMILESCNCC1(CN(C)Cc2cc(Br)cs2)CCOC1
InChIInChI=1S/C13H21BrN2OS/c1-15-8-13(3-4-17-10-13)9-16(2)6-12-5-11(14)7-18-12/h5,7,15H,3-4,6,8-10H2,1-2H3
InChIKeyZVAWMDNIPGTLNS-UHFFFAOYSA-N
MW333.30 g/mol
LogP2.57
Rot. Bonds6

About 1-(4-bromothiophen-2-yl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine

1-(4-bromothiophen-2-yl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine (PubChem CID 62260251) has the molecular formula C13H21BrN2OS and a molecular weight of 333.30 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine
PubChem CID62260251
Molecular FormulaC13H21BrN2OS
Molecular Weight333.30 g/mol
Exact Mass332.06
IUPAC Name1-(4-bromothiophen-2-yl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine
SMILESCNCC1(CN(C)Cc2cc(Br)cs2)CCOC1
InChIInChI=1S/C13H21BrN2OS/c1-15-8-13(3-4-17-10-13)9-16(2)6-12-5-11(14)7-18-12/h5,7,15H,3-4,6,8-10H2,1-2H3
InChIKeyZVAWMDNIPGTLNS-UHFFFAOYSA-N
XLogP2.57
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-bromothiophen-2-yl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine with MolForge

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Related Compounds

N-[[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]oxan-4-yl]methyl]propan-2-amine
CID 62392031
1-(4-chlorophenyl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine
CID 62260904
1-(2-chlorophenyl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine
CID 62272813
2-methyl-N-[[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62256273
1-(5-bromothiophen-3-yl)-N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]methanamine
CID 62258974
2-methyl-N-[[3-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62255910
N,4-dimethyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]pentan-2-amine
CID 55056496
1-(5-bromothiophen-2-yl)-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine
CID 115246231
N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 62262539
N-[[4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62391516
methyl 1-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]cyclopropane-1-carboxylate
CID 115247618
N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-2-pyrrolidin-1-ylethanamine
CID 63211209

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine (CID 62260251) is 1-(4-bromothiophen-2-yl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine is CNCC1(CN(C)Cc2cc(Br)cs2)CCOC1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine?
The InChIKey is ZVAWMDNIPGTLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2OS/c1-15-8-13(3-4-17-10-13)9-16(2)6-12-5-11(14)7-18-12/h5,7,15H,3-4,6,8-10H2,1-2H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine?
1-(4-bromothiophen-2-yl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine has a molecular weight of 333.30 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine is sourced from PubChem (CID 62260251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).