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

C12H19BrN2OS — CID 112739673

IUPACN-[(4-bromothiophen-3-yl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine
SMILESCCN1CCOC(CNCc2cscc2Br)C1
InChIInChI=1S/C12H19BrN2OS/c1-2-15-3-4-16-11(7-15)6-14-5-10-8-17-9-12(10)13/h8-9,11,14H,2-7H2,1H3
InChIKeyKXAMNGGEJGJGSD-UHFFFAOYSA-N
MW319.27 g/mol
LogP2.32
Rot. Bonds5

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

N-[(4-bromothiophen-3-yl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine (PubChem CID 112739673) has the molecular formula C12H19BrN2OS and a molecular weight of 319.27 g/mol. Its IUPAC name is N-[(4-bromothiophen-3-yl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine.

Molecular Properties

Compound NameN-[(4-bromothiophen-3-yl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine
PubChem CID112739673
Molecular FormulaC12H19BrN2OS
Molecular Weight319.27 g/mol
Exact Mass318.04
IUPAC NameN-[(4-bromothiophen-3-yl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine
SMILESCCN1CCOC(CNCc2cscc2Br)C1
InChIInChI=1S/C12H19BrN2OS/c1-2-15-3-4-16-11(7-15)6-14-5-10-8-17-9-12(10)13/h8-9,11,14H,2-7H2,1H3
InChIKeyKXAMNGGEJGJGSD-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-[(3-bromothiophen-2-yl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine
CID 78960579
1-(4-ethylmorpholin-2-yl)-N-(thiadiazol-4-ylmethyl)methanamine
CID 115906891
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine
CID 112705319
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine
CID 104702435
N-[(2,4-difluorophenyl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine
CID 78946861
1-(4-ethylmorpholin-2-yl)-N-[(5-fluoro-2-methylphenyl)methyl]methanamine
CID 115968124
1-(4-ethylmorpholin-2-yl)-N-[[4-(methoxymethyl)phenyl]methyl]methanamine
CID 115653577
N-[(5-bromo-3-pyridinyl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine
CID 113235638
3-bromo-N-[(4-ethylmorpholin-2-yl)methyl]propan-1-amine
CID 114293488
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine
CID 115883584
1-(4-ethylmorpholin-2-yl)-N-[(1-ethylpyrrol-3-yl)methyl]methanamine
CID 114399548
[5-[[(4-ethylmorpholin-2-yl)methylamino]methyl]furan-2-yl]methanol
CID 115653583

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-3-yl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine?
The IUPAC name of N-[(4-bromothiophen-3-yl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine (CID 112739673) is N-[(4-bromothiophen-3-yl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine.
What is the SMILES notation for N-[(4-bromothiophen-3-yl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine?
The canonical SMILES for N-[(4-bromothiophen-3-yl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine is CCN1CCOC(CNCc2cscc2Br)C1.
What is the InChIKey of N-[(4-bromothiophen-3-yl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine?
The InChIKey is KXAMNGGEJGJGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2OS/c1-2-15-3-4-16-11(7-15)6-14-5-10-8-17-9-12(10)13/h8-9,11,14H,2-7H2,1H3.
What are the key properties of N-[(4-bromothiophen-3-yl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine?
N-[(4-bromothiophen-3-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-[(4-bromothiophen-3-yl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine is sourced from PubChem (CID 112739673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).