N-[2-(4-bromothiophen-2-yl)ethyl]-2-morpholin-3-ylethanamine

C12H19BrN2OS — CID 115239012

IUPACN-[2-(4-bromothiophen-2-yl)ethyl]-2-morpholin-3-ylethanamine
SMILESBrc1csc(CCNCCC2COCCN2)c1
InChIInChI=1S/C12H19BrN2OS/c13-10-7-12(17-9-10)2-4-14-3-1-11-8-16-6-5-15-11/h7,9,11,14-15H,1-6,8H2
InChIKeyJJOLNFAXVSMDBP-UHFFFAOYSA-N
MW319.27 g/mol
LogP2.02
Rot. Bonds6

About N-[2-(4-bromothiophen-2-yl)ethyl]-2-morpholin-3-ylethanamine

N-[2-(4-bromothiophen-2-yl)ethyl]-2-morpholin-3-ylethanamine (PubChem CID 115239012) has the molecular formula C12H19BrN2OS and a molecular weight of 319.27 g/mol. Its IUPAC name is N-[2-(4-bromothiophen-2-yl)ethyl]-2-morpholin-3-ylethanamine.

Molecular Properties

Compound NameN-[2-(4-bromothiophen-2-yl)ethyl]-2-morpholin-3-ylethanamine
PubChem CID115239012
Molecular FormulaC12H19BrN2OS
Molecular Weight319.27 g/mol
Exact Mass318.04
IUPAC NameN-[2-(4-bromothiophen-2-yl)ethyl]-2-morpholin-3-ylethanamine
SMILESBrc1csc(CCNCCC2COCCN2)c1
InChIInChI=1S/C12H19BrN2OS/c13-10-7-12(17-9-10)2-4-14-3-1-11-8-16-6-5-15-11/h7,9,11,14-15H,1-6,8H2
InChIKeyJJOLNFAXVSMDBP-UHFFFAOYSA-N
XLogP2.02
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.27
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(2-morpholin-3-ylethyl)thiophen-2-amine
CID 115238840
N-[(4-bromothiophen-2-yl)methyl]-2-(4-methylpiperazin-2-yl)ethanamine
CID 115239419
2-[2-(4-bromothiophen-2-yl)ethyl]azepane
CID 107355607
N-[(4-bromothiophen-2-yl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119731563
N-[(3-methylphenyl)methyl]-2-morpholin-3-ylethanamine
CID 115238968
N'-[2-(4-bromothiophen-2-yl)ethyl]-N-methylpropane-1,3-diamine
CID 115198009
N-[(4-methoxyphenyl)methyl]-2-morpholin-3-ylethanamine
CID 115238941
N-(morpholin-3-ylmethyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 115238131
2,2-dimethyl-N-(2-morpholin-3-ylethyl)butan-1-amine
CID 103462305
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-morpholin-3-ylethanamine
CID 115238964
3-bromo-4-methoxy-N-(2-morpholin-3-ylethyl)aniline
CID 115238841
2-(1-methylpiperidin-3-yl)-N-(2-morpholin-3-ylethyl)ethanamine
CID 115239031

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromothiophen-2-yl)ethyl]-2-morpholin-3-ylethanamine?
The IUPAC name of N-[2-(4-bromothiophen-2-yl)ethyl]-2-morpholin-3-ylethanamine (CID 115239012) is N-[2-(4-bromothiophen-2-yl)ethyl]-2-morpholin-3-ylethanamine.
What is the SMILES notation for N-[2-(4-bromothiophen-2-yl)ethyl]-2-morpholin-3-ylethanamine?
The canonical SMILES for N-[2-(4-bromothiophen-2-yl)ethyl]-2-morpholin-3-ylethanamine is Brc1csc(CCNCCC2COCCN2)c1.
What is the InChIKey of N-[2-(4-bromothiophen-2-yl)ethyl]-2-morpholin-3-ylethanamine?
The InChIKey is JJOLNFAXVSMDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2OS/c13-10-7-12(17-9-10)2-4-14-3-1-11-8-16-6-5-15-11/h7,9,11,14-15H,1-6,8H2.
What are the key properties of N-[2-(4-bromothiophen-2-yl)ethyl]-2-morpholin-3-ylethanamine?
N-[2-(4-bromothiophen-2-yl)ethyl]-2-morpholin-3-ylethanamine has a molecular weight of 319.27 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromothiophen-2-yl)ethyl]-2-morpholin-3-ylethanamine is sourced from PubChem (CID 115239012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).