4-[[(4-bromothiophen-2-yl)methylamino]methyl]-N-propyloxolan-3-amine

C13H21BrN2OS — CID 66255257

IUPAC4-[[(4-bromothiophen-2-yl)methylamino]methyl]-N-propyloxolan-3-amine
SMILESCCCNC1COCC1CNCc1cc(Br)cs1
InChIInChI=1S/C13H21BrN2OS/c1-2-3-16-13-8-17-7-10(13)5-15-6-12-4-11(14)9-18-12/h4,9-10,13,15-16H,2-3,5-8H2,1H3
InChIKeyQDPIOQWQFUIJKX-UHFFFAOYSA-N
MW333.30 g/mol
LogP2.61
Rot. Bonds7

About 4-[[(4-bromothiophen-2-yl)methylamino]methyl]-N-propyloxolan-3-amine

4-[[(4-bromothiophen-2-yl)methylamino]methyl]-N-propyloxolan-3-amine (PubChem CID 66255257) has the molecular formula C13H21BrN2OS and a molecular weight of 333.30 g/mol. Its IUPAC name is 4-[[(4-bromothiophen-2-yl)methylamino]methyl]-N-propyloxolan-3-amine.

Molecular Properties

Compound Name4-[[(4-bromothiophen-2-yl)methylamino]methyl]-N-propyloxolan-3-amine
PubChem CID66255257
Molecular FormulaC13H21BrN2OS
Molecular Weight333.30 g/mol
Exact Mass332.06
IUPAC Name4-[[(4-bromothiophen-2-yl)methylamino]methyl]-N-propyloxolan-3-amine
SMILESCCCNC1COCC1CNCc1cc(Br)cs1
InChIInChI=1S/C13H21BrN2OS/c1-2-3-16-13-8-17-7-10(13)5-15-6-12-4-11(14)9-18-12/h4,9-10,13,15-16H,2-3,5-8H2,1H3
InChIKeyQDPIOQWQFUIJKX-UHFFFAOYSA-N
XLogP2.61
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[(4-bromothiophen-2-yl)methylamino]methyl]-N-propyloxolan-3-amine with MolForge

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Related Compounds

(3S,4R)-4-[(4-bromothiophen-2-yl)methylamino]oxolan-3-ol
CID 130751579
N-propyl-4-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]oxolan-3-amine
CID 66256208
N-propyl-4-[(5,5,5-trifluoropentylamino)methyl]oxolan-3-amine
CID 115520420
2-[(4-bromothiophen-2-yl)methyl]-N-propylcycloheptan-1-amine
CID 63403346
2-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-propylcyclopentan-1-amine
CID 62609628
4-[[(1-methylcyclopentyl)methylamino]methyl]-N-propyloxolan-3-amine
CID 66254295
2-[(4-bromothiophen-2-yl)methyl]-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 63401202
3-[[(4-bromothiophen-2-yl)methylamino]methyl]cyclopentan-1-ol
CID 103270680
N-[(4-bromothiophen-2-yl)methyl]-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine
CID 115626043
3-[(4-bromothiophen-2-yl)methyl]-N-ethyloxan-4-amine
CID 106469388
4-[[(5-ethylthiophen-2-yl)methylamino]methyl]-N-methyloxolan-3-amine
CID 106012094
N-ethyl-4-[[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]methyl]oxolan-3-amine
CID 66259346

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-bromothiophen-2-yl)methylamino]methyl]-N-propyloxolan-3-amine?
The IUPAC name of 4-[[(4-bromothiophen-2-yl)methylamino]methyl]-N-propyloxolan-3-amine (CID 66255257) is 4-[[(4-bromothiophen-2-yl)methylamino]methyl]-N-propyloxolan-3-amine.
What is the SMILES notation for 4-[[(4-bromothiophen-2-yl)methylamino]methyl]-N-propyloxolan-3-amine?
The canonical SMILES for 4-[[(4-bromothiophen-2-yl)methylamino]methyl]-N-propyloxolan-3-amine is CCCNC1COCC1CNCc1cc(Br)cs1.
What is the InChIKey of 4-[[(4-bromothiophen-2-yl)methylamino]methyl]-N-propyloxolan-3-amine?
The InChIKey is QDPIOQWQFUIJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2OS/c1-2-3-16-13-8-17-7-10(13)5-15-6-12-4-11(14)9-18-12/h4,9-10,13,15-16H,2-3,5-8H2,1H3.
What are the key properties of 4-[[(4-bromothiophen-2-yl)methylamino]methyl]-N-propyloxolan-3-amine?
4-[[(4-bromothiophen-2-yl)methylamino]methyl]-N-propyloxolan-3-amine has a molecular weight of 333.30 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-bromothiophen-2-yl)methylamino]methyl]-N-propyloxolan-3-amine is sourced from PubChem (CID 66255257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).