N-[1-(3-bromothiophen-2-yl)ethyl]-1-morpholin-4-ylpropan-2-amine

C13H21BrN2OS — CID 43779525

IUPACN-[1-(3-bromothiophen-2-yl)ethyl]-1-morpholin-4-ylpropan-2-amine
SMILESCC(CN1CCOCC1)NC(C)c1sccc1Br
InChIInChI=1S/C13H21BrN2OS/c1-10(9-16-4-6-17-7-5-16)15-11(2)13-12(14)3-8-18-13/h3,8,10-11,15H,4-7,9H2,1-2H3
InChIKeyFFVLONSACIDPRW-UHFFFAOYSA-N
MW333.30 g/mol
LogP2.88
Rot. Bonds5

About N-[1-(3-bromothiophen-2-yl)ethyl]-1-morpholin-4-ylpropan-2-amine

N-[1-(3-bromothiophen-2-yl)ethyl]-1-morpholin-4-ylpropan-2-amine (PubChem CID 43779525) has the molecular formula C13H21BrN2OS and a molecular weight of 333.30 g/mol. Its IUPAC name is N-[1-(3-bromothiophen-2-yl)ethyl]-1-morpholin-4-ylpropan-2-amine.

Molecular Properties

Compound NameN-[1-(3-bromothiophen-2-yl)ethyl]-1-morpholin-4-ylpropan-2-amine
PubChem CID43779525
Molecular FormulaC13H21BrN2OS
Molecular Weight333.30 g/mol
Exact Mass332.06
IUPAC NameN-[1-(3-bromothiophen-2-yl)ethyl]-1-morpholin-4-ylpropan-2-amine
SMILESCC(CN1CCOCC1)NC(C)c1sccc1Br
InChIInChI=1S/C13H21BrN2OS/c1-10(9-16-4-6-17-7-5-16)15-11(2)13-12(14)3-8-18-13/h3,8,10-11,15H,4-7,9H2,1-2H3
InChIKeyFFVLONSACIDPRW-UHFFFAOYSA-N
XLogP2.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3-bromothiophen-2-yl)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 112551286
N-[1-(3-bromothiophen-2-yl)ethyl]-4-methylpentan-2-amine
CID 43775777
N-[1-(4-iodophenyl)ethyl]-1-morpholin-4-ylpropan-2-amine
CID 43779473
2-[1-(3-bromothiophen-2-yl)ethylamino]butan-1-ol
CID 43771158
1-(3-bromophenyl)-N-(1-morpholin-4-ylpropan-2-yl)propan-1-amine
CID 43779491
N-[1-(3,4-difluorophenyl)ethyl]-1-morpholin-4-ylpropan-2-amine
CID 43675786
1-(4-methylphenyl)-N-(1-morpholin-4-ylpropan-2-yl)propan-1-amine
CID 43675888
2,6-dimethyl-N-(1-morpholin-4-ylpropan-2-yl)heptan-4-amine
CID 43675652
1-(3-bromothiophen-2-yl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 79082017
(1R)-N-[1-(3-bromothiophen-2-yl)ethyl]-1-cyclopentylethanamine
CID 81394247
N-[1-(3-bromothiophen-2-yl)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 43768298
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-morpholin-4-ylpropan-2-amine
CID 43675884

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromothiophen-2-yl)ethyl]-1-morpholin-4-ylpropan-2-amine?
The IUPAC name of N-[1-(3-bromothiophen-2-yl)ethyl]-1-morpholin-4-ylpropan-2-amine (CID 43779525) is N-[1-(3-bromothiophen-2-yl)ethyl]-1-morpholin-4-ylpropan-2-amine.
What is the SMILES notation for N-[1-(3-bromothiophen-2-yl)ethyl]-1-morpholin-4-ylpropan-2-amine?
The canonical SMILES for N-[1-(3-bromothiophen-2-yl)ethyl]-1-morpholin-4-ylpropan-2-amine is CC(CN1CCOCC1)NC(C)c1sccc1Br.
What is the InChIKey of N-[1-(3-bromothiophen-2-yl)ethyl]-1-morpholin-4-ylpropan-2-amine?
The InChIKey is FFVLONSACIDPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2OS/c1-10(9-16-4-6-17-7-5-16)15-11(2)13-12(14)3-8-18-13/h3,8,10-11,15H,4-7,9H2,1-2H3.
What are the key properties of N-[1-(3-bromothiophen-2-yl)ethyl]-1-morpholin-4-ylpropan-2-amine?
N-[1-(3-bromothiophen-2-yl)ethyl]-1-morpholin-4-ylpropan-2-amine has a molecular weight of 333.30 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromothiophen-2-yl)ethyl]-1-morpholin-4-ylpropan-2-amine is sourced from PubChem (CID 43779525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).