2-(bromomethyl)-4-[(5-chlorothiophen-2-yl)methyl]morpholine

C10H13BrClNOS — CID 81213537

IUPAC2-(bromomethyl)-4-[(5-chlorothiophen-2-yl)methyl]morpholine
SMILESClc1ccc(CN2CCOC(CBr)C2)s1
InChIInChI=1S/C10H13BrClNOS/c11-5-8-6-13(3-4-14-8)7-9-1-2-10(12)15-9/h1-2,8H,3-7H2
InChIKeyROKZJLNKDWENDF-UHFFFAOYSA-N
MW310.64 g/mol
LogP3.00
Rot. Bonds3

About 2-(bromomethyl)-4-[(5-chlorothiophen-2-yl)methyl]morpholine

2-(bromomethyl)-4-[(5-chlorothiophen-2-yl)methyl]morpholine (PubChem CID 81213537) has the molecular formula C10H13BrClNOS and a molecular weight of 310.64 g/mol. Its IUPAC name is 2-(bromomethyl)-4-[(5-chlorothiophen-2-yl)methyl]morpholine.

Molecular Properties

Compound Name2-(bromomethyl)-4-[(5-chlorothiophen-2-yl)methyl]morpholine
PubChem CID81213537
Molecular FormulaC10H13BrClNOS
Molecular Weight310.64 g/mol
Exact Mass308.96
IUPAC Name2-(bromomethyl)-4-[(5-chlorothiophen-2-yl)methyl]morpholine
SMILESClc1ccc(CN2CCOC(CBr)C2)s1
InChIInChI=1S/C10H13BrClNOS/c11-5-8-6-13(3-4-14-8)7-9-1-2-10(12)15-9/h1-2,8H,3-7H2
InChIKeyROKZJLNKDWENDF-UHFFFAOYSA-N
XLogP3.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.64
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(bromomethyl)-1-[(5-chlorothiophen-2-yl)methyl]piperidine
CID 80679761
6-(bromomethyl)-4-[(5-chlorothiophen-2-yl)methyl]-2,2-dimethylmorpholine
CID 114780699
4-[[2-(bromomethyl)morpholin-4-yl]methyl]phenol
CID 81214018
N-[[4-[(5-chlorothiophen-2-yl)methyl]morpholin-2-yl]methyl]pyridazin-3-amine
CID 71928020
2-(bromomethyl)-4-[(3-chloro-4-fluorophenyl)methyl]morpholine
CID 103041391
4-[(5-bromofuran-2-yl)methyl]-2-(bromomethyl)morpholine
CID 131047863
2-(bromomethyl)-4-[(2-chloro-4-fluorophenyl)methyl]morpholine
CID 81213276
2-(bromomethyl)-4-[(2-chloro-3-fluorophenyl)methyl]morpholine
CID 112654433
1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119917354
1-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethylpiperazine
CID 63861880
4-[(4-bromo-2-fluorophenyl)methyl]-2-(bromomethyl)morpholine
CID 81212861
1-[(5-chlorothiophen-2-yl)methyl]piperidine-4-carbonitrile
CID 48940786

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-[(5-chlorothiophen-2-yl)methyl]morpholine?
The IUPAC name of 2-(bromomethyl)-4-[(5-chlorothiophen-2-yl)methyl]morpholine (CID 81213537) is 2-(bromomethyl)-4-[(5-chlorothiophen-2-yl)methyl]morpholine.
What is the SMILES notation for 2-(bromomethyl)-4-[(5-chlorothiophen-2-yl)methyl]morpholine?
The canonical SMILES for 2-(bromomethyl)-4-[(5-chlorothiophen-2-yl)methyl]morpholine is Clc1ccc(CN2CCOC(CBr)C2)s1.
What is the InChIKey of 2-(bromomethyl)-4-[(5-chlorothiophen-2-yl)methyl]morpholine?
The InChIKey is ROKZJLNKDWENDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClNOS/c11-5-8-6-13(3-4-14-8)7-9-1-2-10(12)15-9/h1-2,8H,3-7H2.
What are the key properties of 2-(bromomethyl)-4-[(5-chlorothiophen-2-yl)methyl]morpholine?
2-(bromomethyl)-4-[(5-chlorothiophen-2-yl)methyl]morpholine has a molecular weight of 310.64 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-[(5-chlorothiophen-2-yl)methyl]morpholine is sourced from PubChem (CID 81213537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).