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

C12H19BrN2OS — CID 78960579

IUPACN-[(3-bromothiophen-2-yl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine
SMILESCCN1CCOC(CNCc2sccc2Br)C1
InChIInChI=1S/C12H19BrN2OS/c1-2-15-4-5-16-10(9-15)7-14-8-12-11(13)3-6-17-12/h3,6,10,14H,2,4-5,7-9H2,1H3
InChIKeyOFZYIASEGQYXGF-UHFFFAOYSA-N
MW319.27 g/mol
LogP2.32
Rot. Bonds5

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

N-[(3-bromothiophen-2-yl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine (PubChem CID 78960579) has the molecular formula C12H19BrN2OS and a molecular weight of 319.27 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine
PubChem CID78960579
Molecular FormulaC12H19BrN2OS
Molecular Weight319.27 g/mol
Exact Mass318.04
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine
SMILESCCN1CCOC(CNCc2sccc2Br)C1
InChIInChI=1S/C12H19BrN2OS/c1-2-15-4-5-16-10(9-15)7-14-8-12-11(13)3-6-17-12/h3,6,10,14H,2,4-5,7-9H2,1H3
InChIKeyOFZYIASEGQYXGF-UHFFFAOYSA-N
XLogP2.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromothiophen-3-yl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine
CID 112739673
[5-[[(4-ethylmorpholin-2-yl)methylamino]methyl]furan-2-yl]methanol
CID 115653583
1-(4-ethylmorpholin-2-yl)-N-[(1-ethylpyrrol-3-yl)methyl]methanamine
CID 114399548
benzyl 2-[[(3-bromothiophen-2-yl)methylamino]methyl]morpholine-4-carboxylate
CID 107254903
1-(4-ethylmorpholin-2-yl)-N-[[4-(methoxymethyl)phenyl]methyl]methanamine
CID 115653577
1-(4-ethylmorpholin-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine
CID 114399661
N-[(5-bromo-3-pyridinyl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine
CID 113235638
1-(4-ethylmorpholin-2-yl)-N-[(4-nitrophenyl)methyl]methanamine
CID 78946835
1-(4-ethylmorpholin-2-yl)-N-(thiadiazol-4-ylmethyl)methanamine
CID 115906891
2-[4-[(3-bromothiophen-2-yl)methyl]morpholin-2-yl]acetic acid
CID 66435818
4-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzoic acid
CID 114399651
N-[(4-ethylmorpholin-2-yl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 80526746

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine (CID 78960579) is N-[(3-bromothiophen-2-yl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine is CCN1CCOC(CNCc2sccc2Br)C1.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine?
The InChIKey is OFZYIASEGQYXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2OS/c1-2-15-4-5-16-10(9-15)7-14-8-12-11(13)3-6-17-12/h3,6,10,14H,2,4-5,7-9H2,1H3.
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine?
N-[(3-bromothiophen-2-yl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine has a molecular weight of 319.27 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine is sourced from PubChem (CID 78960579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).